Geometry & MOs

Info

ID:

117721

PubChem CID:

50612871

Reduced:

Cl2O5N6C39H48 (1)

Stoich.:

A2B5C6D39E48 (1)

Weight, g/mol:

656.228074

ΔHf, kcal/mol:

-209.02

Dipole, Da:

5.09

IP(EA), eV:

 -8.81(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]piperidine-4-carbonyl]-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CC(=C4)C)Cl

DOS

IR

Vibrations