Geometry & MOs

Info

ID:

234339

PubChem CID:

92298212

Reduced:

N3O6H31C32 (1)

Stoich.:

A3B6C31D32 (1)

Weight, g/mol:

588.202714

ΔHf, kcal/mol:

-92.77

Dipole, Da:

12.83

IP(EA), eV:

 -8.69(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7R)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(NC3=C([C@H]2C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C[C@H](C3)C5=CC(=C(C=C5)OC)OC)C

DOS

IR

Vibrations