Geometry & MOs

Info

ID:

234340

PubChem CID:

92298214

Reduced:

ClN2O6C33H33 (1)

Stoich.:

AB2C6D33E33 (1)

Weight, g/mol:

553.221286

ΔHf, kcal/mol:

-176.26

Dipole, Da:

7.41

IP(EA), eV:

 -8.43(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7R)-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=C1NC(=O)C2=C(NC3=C([C@@H]2C4=CC(=C(C(=C4)Cl)O)OC)C(=O)C[C@@H](C3)C5=CC(=C(C=C5)OC)OC)C

DOS

IR

Vibrations