Geometry & MOs

Info

ID:

112474

PubChem CID:

50408796

Reduced:

O4N5C31H43 (1)

Stoich.:

A4B5C31D43 (1)

Weight, g/mol:

626.321668

ΔHf, kcal/mol:

-183.05

Dipole, Da:

4.22

IP(EA), eV:

 -8.9(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC(C)CC)C

DOS

IR

Vibrations