Geometry & MOs

Info

ID:

112131

PubChem CID:

50396247

Reduced:

N6O6C35H46 (1)

Stoich.:

A6B6C35D46 (1)

Weight, g/mol:

644.368619

ΔHf, kcal/mol:

-238.03

Dipole, Da:

2.07

IP(EA), eV:

 -8.96(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)N4CCOCC4)C(=O)NC5CCCC5

DOS

IR

Vibrations