分子模型图4甲基2戊醇十二丙氨酸醇.docx
《分子模型图4甲基2戊醇十二丙氨酸醇.docx》由会员分享，可在线阅读，更多相关《分子模型图4甲基2戊醇十二丙氨酸醇.docx（18页珍藏版）》请在冰豆网上搜索。
分子模型图4甲基2戊醇十二丙氨酸醇
4－甲基－2－戊醇线状模型
4－甲基－2－戊醇棒状模型
4－甲基－2－戊醇球棍模型
4－甲基－2－戊醇圆柱模型
十二丙氨酸醇线状模型
十二丙氨酸醇棒状模型
十二丙氨酸醇球棍模型
十二丙氨酸醇圆柱模型
Warning:
ArbitrarydihedralchosenforC-C-O-CC
（2）-C（3）-O（11）-C（12）
Warning:
ArbitrarydihedralchosenforC-O-C-OC（3）-O（11）-C（12）-O（13）
Warning:
ArbitrarydihedralchosenforC-C-O-HC
（2）-C
（1）-O（9）-H（10）
AddinglonepairstoOO（11）
AddinglonepairstoOO（9）
PiSystem:
65437218
Warning:
Someparametersareguessed（Quality=1）.
Iteration625:
Minimizationterminatedinerrorbecauseofrepeatedorsevereerrorsfromthelinesearch
Stretch:
0.8868
Bend:
2.4988
Stretch-Bend:
0.0256
Torsion:
0.5495
Non-1,4VDW:
-0.6486
1,4VDW:
7.0141
Dipole/Dipole:
7.4781
Total:
17.8042
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
PropertyServer:
ChemPropStd
Parameters:
ProbeRadius=1.4
ConnollySolvent-ExcludedVolume:
134.521AngstromsCubed
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
MeltingPoint:
432.56K
PropertyServer:
ChemPropStd
Parameters:
ProbeRadius=1.4
ConnollySolvent-ExcludedVolume:
134.521AngstromsCubed
MolecularWeight:
180.161AtomicMassUnits
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
MeltingPoint:
432.56K
PropertyServer:
ChemPropStd
Parameters:
ProbeRadius=1.4
ConnollySolvent-ExcludedVolume:
134.521AngstromsCubed
MolecularWeight:
180.161AtomicMassUnits
Warning:
Someparametersareguessed（Quality=1）.
Iteration262:
Minimizationterminatednormallybecausethegradientnormislessthantheminimumgradientnorm
Stretch:
8.2315
Bend:
64.6742
Stretch-Bend:
-3.1052
Torsion:
-3.0379
Non-1,4VDW:
0.0763
1,4VDW:
17.7751
Dipole/Dipole:
5.5488
Total:
90.1628
Warning:
Someparametersareguessed（Quality=1）.
Iteration276:
Minimizationterminatednormallybecausethegradientnormislessthantheminimumgradientnorm
Stretch:
8.2247
Bend:
64.6702
Stretch-Bend:
-3.1104
Torsion:
-3.0692
Non-1,4VDW:
0.0908
1,4VDW:
17.7810
Warning:
ArbitrarydihedralchosenforC-C-O-CC
（2）-C（3）-O（11）-C（12）
Warning:
ArbitrarydihedralchosenforC-O-C-OC（3）-O（11）-C（12）-O（13）
Warning:
ArbitrarydihedralchosenforC-C-O-HC
（2）-C
（1）-O（9）-H（10）
AddinglonepairstoOO（11）
AddinglonepairstoOO（9）
PiSystem:
65437218
Warning:
Someparametersareguessed（Quality=1）.
Iteration625:
Minimizationterminatedinerrorbecauseofrepeatedorsevereerrorsfromthelinesearch
Stretch:
0.8868
Bend:
2.4988
Stretch-Bend:
0.0256
Torsion:
0.5495
Non-1,4VDW:
-0.6486
1,4VDW:
7.0141
Dipole/Dipole:
7.4781
Total:
17.8042
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
PropertyServer:
ChemPropStd
Parameters:
ProbeRadius=1.4
ConnollySolvent-ExcludedVolume:
134.521AngstromsCubed
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
MeltingPoint:
432.56K
PropertyServer:
ChemPropStd
Parameters:
ProbeRadius=1.4
ConnollySolvent-ExcludedVolume:
134.521AngstromsCubed
MolecularWeight:
180.161AtomicMassUnits
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
MeltingPoint:
432.56K
PropertyServer:
ChemPropStd
Parameters:
ProbeRadius=1.4
ConnollySolvent-ExcludedVolume:
134.521AngstromsCubed
MolecularWeight:
180.161AtomicMassUnits
Warning:
Someparametersareguessed（Quality=1）.
Iteration262:
Minimizationterminatednormallybecausethegradientnormislessthantheminimumgradientnorm
Stretch:
8.2315
Bend:
64.6742
Stretch-Bend:
-3.1052
Torsion:
-3.0379
Non-1,4VDW:
0.0763
1,4VDW:
17.7751
Dipole/Dipole:
5.5488
Total:
90.1628
Warning:
Someparametersareguessed（Quality=1）.
Iteration276:
Minimizationterminatednormallybecausethegradientnormislessthantheminimumgradientnorm
Stretch:
8.2247
Bend:
64.6702
Stretch-Bend:
-3.1104
Torsion:
-3.0692
Non-1,4VDW:
0.0908
1,4VDW:
17.7810
Dipole/Dipole:
5.5524
Total:
90.1395
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
MeltingPoint:
432.56K
Dipole/Dipole:
5.5524
Total:
90.1395
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
Warning:
ArbitrarydihedralchosenforC-C-O-CC
（2）-C（3）-O（11）-C（12）
Warning:
ArbitrarydihedralchosenforC-O-C-OC（3）-O（11）-C（12）-O（13）
Warning:
ArbitrarydihedralchosenforC-C-O-HC
（2）-C
（1）-O（9）-H（10）
AddinglonepairstoOO（11）
AddinglonepairstoOO（9）
PiSystem:
65437218
Warning:
Someparametersareguessed（Quality=1）.
Iteration625:
Minimizationterminatedinerrorbecauseofrepeatedorsevereerrorsfromthelinesearch
Stretch:
0.8868
Bend:
2.4988
Stretch-Bend:
0.0256
Torsion:
0.5495
Non-1,4VDW:
-0.6486
1,4VDW:
7.0141
Dipole/Dipole:
7.4781
Total:
17.8042
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
PropertyServer:
ChemPropStd
Parameters:
ProbeRadius=1.4
ConnollySolvent-ExcludedVolume:
134.521AngstromsCubed
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
MeltingPoint:
432.56K
PropertyServer:
ChemPropStd
Parameters:
ProbeRadius=1.4
ConnollySolvent-ExcludedVolume:
134.521AngstromsCubed
MolecularWeight:
180.161AtomicMassUnits
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
MeltingPoint:
432.56K
PropertyServer:
ChemPropStd
Parameters:
ProbeRadius=1.4
ConnollySolvent-ExcludedVolume:
134.521AngstromsCubed
MolecularWeight:
180.161AtomicMassUnits
Warning:
Someparametersareguessed（Quality=1）.
Iteration262:
Minimizationterminatednormallybecausethegradientnormislessthantheminimumgradientnorm
Stretch:
8.2315
Bend:
64.6742
Stretch-Bend:
-3.1052
Torsion:
-3.0379
Non-1,4VDW:
0.0763
1,4VDW:
17.7751
Dipole/Dipole:
5.5488
Total:
90.1628
Warning:
Someparametersareguessed（Quality=1）.
Iteration276:
Minimizationterminatednormallybecausethegradientnormislessthantheminimumgradientnorm
Stretch:
8.2247
Bend:
64.6702
Stretch-Bend:
-3.1104
Torsion:
-3.0692
Non-1,4VDW:
0.0908
1,4VDW:
17.7810
Dipole/Dipole:
5.5524
Total:
90.1395
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
MeltingPoint:
432.56K
PropertyServer:
ChemPropStd
MolecularWeight:
180.161AtomicMassUnits
Warning:
ArbitrarydihedralchosenforC-C-O-CC
（2）-C（3）-O（11）-C（12）
Warning:
ArbitrarydihedralchosenforC-O-C-OC（3）-O（11）-C（12）-O（13）
Warning:
ArbitrarydihedralchosenforC-C-O-HC
（2）-C
（1）-O（9）-H（10）
AddinglonepairstoOO（11）
AddinglonepairstoOO（9）
PiSystem:
65437218
Warning:
Someparametersareguessed（Quality=1）.
Iteration625:
Minimizationterminatedinerrorbecauseofrepeatedorsevereerrorsfromthelinesearch
Stretch:
0.8868
Bend:
2.4988
Stretch-Bend:
0.0256
Torsion:
0.5495
Non-1,4VDW:
-0.6486
1,4VDW:
7.0141
Dipole/Dipole:
7.4781
Total:
17.8042
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
PropertyServer:
ChemPropStd
Parameters:
ProbeRadius=1.4
ConnollySolvent-ExcludedVolume:
134.521AngstromsCubed
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
MeltingPoint:
432.56K
PropertyServer:
ChemPropStd
Parameters:
ProbeRadius=1.4
ConnollySolvent-ExcludedVolume:
134.521AngstromsCubed
MolecularWeight:
180.161AtomicMassUnits
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
MeltingPoint:
432.56K
PropertyServer:
ChemPropStd
Parameters:
ProbeRadius=1.4
ConnollySolvent-ExcludedVolume:
134.521AngstromsCubed
MolecularWeight:
180.161AtomicMassUnits
Warning:
Someparametersareguessed（Quality=1）.
Iteration262:
Minimizationterminatednormallybecausethegradientnormislessthantheminimumgradientnorm
Stretch:
8.2315
Bend:
64.6742
Stretch-Bend:
-3.1052
Torsion:
-3.0379
Non-1,4VDW:
0.0763
1,4VDW:
17.7751
Dipole/Dipole:
5.5488
Total:
90.1628
Warning:
Someparametersareguessed（Quality=1）.
Iteration276:
Minimizationterminatednormallybecausethegradientnormislessthantheminimumgradientnorm
Stretch:
8.2247
Bend:
64.6702
Stretch-Bend:
-3.1104
Torsion:
-3.0692
Non-1,4VDW:
0.0908
1,4VDW:
17.7810
Dipole/Dipole:
5.5524
Total:
90.1395
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
BoilingPoint:
589.047K
PropertyServer:
ChemPropPro
Parameters:
Method=BestEstimate
MeltingPoint:
432.56K
PropertyServer:
ChemPropStd
MolecularWeight:
180.161AtomicMassUnits
PropertyServer:
ChemPr
升级会员 