Geometry & MOs

Info

ID:

111666

PubChem CID:

50377229

Reduced:

N6O6C35H48 (1)

Stoich.:

A6B6C35D48 (1)

Weight, g/mol:

611.287447

ΔHf, kcal/mol:

-252.03

Dipole, Da:

5.85

IP(EA), eV:

 -8.96(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(=O)NC(C)C)C(=O)N4CCOCC4

DOS

IR

Vibrations