Geometry & MOs

Info

ID:

118132

PubChem CID:

50630207

Reduced:

Cl2O4N5H35C36 (1)

Stoich.:

A2B4C5D35E36 (1)

Weight, g/mol:

671.20661

ΔHf, kcal/mol:

-108.1

Dipole, Da:

8.97

IP(EA), eV:

 -8.81(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(4-methylbenzoyl)amino]phenyl]-1-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations