Geometry & MOs

Info

ID:

119296

PubChem CID:

50676785

Reduced:

Cl2O5N6C39H44 (1)

Stoich.:

A2B5C6D39E44 (1)

Weight, g/mol:

650.298346

ΔHf, kcal/mol:

-188.32

Dipole, Da:

5.61

IP(EA), eV:

 -8.85(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-acetamido-4-methylphenyl)-1-[1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)Cl)NC(=O)C6=CC(=CC=C6)Cl

DOS

IR

Vibrations