Geometry & MOs

Info

ID:

115938

PubChem CID:

50540254

Reduced:

Cl2O5N6C34H44 (1)

Stoich.:

A2B5C6D34E44 (1)

Weight, g/mol:

650.298346

ΔHf, kcal/mol:

-214.52

Dipole, Da:

5.72

IP(EA), eV:

 -8.96(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-carbamoyl-2-methylphenyl)-1-[1-[2-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N(C)C)Cl

DOS

IR

Vibrations