Geometry & MOs

Info

ID:

234338

PubChem CID:

92298211

Reduced:

N2O5H20C26 (1)

Stoich.:

A2B5C20D26 (1)

Weight, g/mol:

553.221286

ΔHf, kcal/mol:

-10.6

Dipole, Da:

6.8

IP(EA), eV:

 -9.52(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2[C@H](C(=C(C2=O)O)C(=O)/C=C\C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations