Geometry & MOs

Info

ID:

119343

PubChem CID:

50679297

Reduced:

Cl2O4N5C32H39 (1)

Stoich.:

A2B4C5D32E39 (1)

Weight, g/mol:

643.232825

ΔHf, kcal/mol:

-178.26

Dipole, Da:

8.77

IP(EA), eV:

 -9.04(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations