Geometry & MOs

Info

ID:

113778

PubChem CID:

50458273

Reduced:

FO5N6C38H39 (1)

Stoich.:

AB5C6D38E39 (1)

Weight, g/mol:

674.321668

ΔHf, kcal/mol:

-175.04

Dipole, Da:

4.88

IP(EA), eV:

 -8.8(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CC=C4F)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations