Geometry & MOs

Info

ID:

103999

PubChem CID:

50086851

Reduced:

O5N6C43H48 (1)

Stoich.:

A5B6C43D48 (1)

Weight, g/mol:

728.368619

ΔHf, kcal/mol:

-151.11

Dipole, Da:

10.5

IP(EA), eV:

 -8.48(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6C)C)C

DOS

IR

Vibrations