Geometry & MOs

Info

ID:

110712

PubChem CID:

50337157

Reduced:

ClO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

621.308183

ΔHf, kcal/mol:

-186.2

Dipole, Da:

5.96

IP(EA), eV:

 -8.5(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(cyclopentylcarbamoyl)phenyl]-1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations