Geometry & MOs

Info

ID:

106598

PubChem CID:

50170505

Reduced:

O5N6C40H48 (1)

Stoich.:

A5B6C40D48 (1)

Weight, g/mol:

712.313996

ΔHf, kcal/mol:

-187.37

Dipole, Da:

5.29

IP(EA), eV:

 -8.27(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-chlorobenzoyl)amino]phenyl]-1-[1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)C(=O)NC6CCCC6)C

DOS

IR

Vibrations