Geometry & MOs

Info

ID:

104284

PubChem CID:

50103923

Reduced:

N6O6C33H38 (1)

Stoich.:

A6B6C33D38 (1)

Weight, g/mol:

618.235746

ΔHf, kcal/mol:

-203.04

Dipole, Da:

11.59

IP(EA), eV:

 -8.81(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[3-[(3-chlorobenzoyl)amino]-4-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C)NC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations