Geometry & MOs

Info

ID:

92737

PubChem CID:

49989342

Reduced:

O5N6C39H54 (1)

Stoich.:

A5B6C39D54 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-238.54

Dipole, Da:

7.32

IP(EA), eV:

 -8.88(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)C)C

DOS

IR

Vibrations