Geometry & MOs

Info

ID:

120343

PubChem CID:

50723579

Reduced:

Cl2O5N6C39H44 (1)

Stoich.:

A2B5C6D39E44 (1)

Weight, g/mol:

760.290674

ΔHf, kcal/mol:

-182.23

Dipole, Da:

6.34

IP(EA), eV:

 -8.72(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(4-methylpiperidine-1-carbonyl)phenyl]-1-[1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)Cl)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)C(=O)N6CCCCC6

DOS

IR

Vibrations