Geometry & MOs

Info

ID:	84803
PubChem CID:	49869999
Reduced:	SiN2O6C29H50 (1)
Stoich.:	AB2C6D29E50 (1)
Weight, g/mol:	562.280965
ΔH_f, kcal/mol:	-252.05
Dipole, Da:	5.88
IP(EA), eV:	-9.02(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E,7E,9Z,11Z)-13-[[1-[[(1Z,6E)-6-chloro-4-hydroxyocta-1,6-dienyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-methoxy-6,8-dimethyl-13-oxotrideca-2,4,7,9,11-pentaenoic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H](/C=C(\C)/C=C\C=C/C(=O)N[C@@H](CC(C)C)C(=O)N)[C@H](C/C=C(\C(=O)OC)/OC)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H](/C=C(\C)/C=C\C=C/C(=O)N[C@@H](CC(C)C)C(=O)N)[C@H](C/C=C(\C(=O)OC)/OC)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):