Geometry & MOs

Info

ID:

113448

PubChem CID:

50445835

Reduced:

O4N5C35H41 (1)

Stoich.:

A4B5C35D41 (1)

Weight, g/mol:

609.295119

ΔHf, kcal/mol:

-139.44

Dipole, Da:

3.13

IP(EA), eV:

 -8.67(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations