Geometry & MOs

Info

ID:

111641

PubChem CID:

50376347

Reduced:

O5N6C40H50 (1)

Stoich.:

A5B6C40D50 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-194.48

Dipole, Da:

5.95

IP(EA), eV:

 -8.78(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-chlorobenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5CCCCC5

DOS

IR

Vibrations