Geometry & MOs

Info

ID:

113711

PubChem CID:

50455785

Reduced:

O5N6C42H46 (1)

Stoich.:

A5B6C42D46 (1)

Weight, g/mol:

734.298346

ΔHf, kcal/mol:

-145.1

Dipole, Da:

9.75

IP(EA), eV:

 -8.57(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-chlorobenzoyl)amino]-4-methylphenyl]-1-[1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC=CC=C6)C

DOS

IR

Vibrations