Geometry & MOs

Info

ID:

110960

PubChem CID:

50345940

Reduced:

N5O5C32H43 (1)

Stoich.:

A5B5C32D43 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-213.58

Dipole, Da:

5.89

IP(EA), eV:

 -8.97(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(5-acetamido-2-chloroanilino)-2-oxoethyl]-1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)C(=O)C)C(=O)NCC(C)C

DOS

IR

Vibrations