Geometry & MOs

Info

ID:

117762

PubChem CID:

50614318

Reduced:

Cl2O4N5C32H35 (1)

Stoich.:

A2B4C5D32E35 (1)

Weight, g/mol:

623.20661

ΔHf, kcal/mol:

-149.11

Dipole, Da:

8.37

IP(EA), eV:

 -8.8(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4C)Cl

DOS

IR

Vibrations