Geometry & MOs

Info

ID:

117162

PubChem CID:

50593705

Reduced:

ClO5N6C40H47 (1)

Stoich.:

AB5C6D40E47 (1)

Weight, g/mol:

746.275024

ΔHf, kcal/mol:

-186.4

Dipole, Da:

9.04

IP(EA), eV:

 -8.76(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-chloro-5-[(3-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC6CCCC6

DOS

IR

Vibrations