Geometry & MOs

Info

ID:

112484

PubChem CID:

50409201

Reduced:

O4N5C31H43 (1)

Stoich.:

A4B5C31D43 (1)

Weight, g/mol:

646.267046

ΔHf, kcal/mol:

-181.2

Dipole, Da:

7.47

IP(EA), eV:

 -8.58(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C)NC(=O)C(C)C)C

DOS

IR

Vibrations