Geometry & MOs

Info

ID:

113779

PubChem CID:

50458274

Reduced:

O5N6C39H42 (1)

Stoich.:

A5B6C39D42 (1)

Weight, g/mol:

674.321668

ΔHf, kcal/mol:

-142.31

Dipole, Da:

2.96

IP(EA), eV:

 -8.89(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations