Geometry & MOs

Info

ID:

138180

PubChem CID:

52324862

Reduced:

O3N5C25H29 (1)

Stoich.:

A3B5C25D29 (1)

Weight, g/mol:

489.031683

ΔHf, kcal/mol:

-67.39

Dipole, Da:

2.79

IP(EA), eV:

 -8.82(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[[(3R,4R,5Z)-4-(4-chlorophenyl)-3-cyano-5-[hydroxy(methoxy)methylidene]-6-oxo-3,4-dihydropyridin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)CNC(=O)[C@@H]2CCCN(C2)C(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations