Geometry & MOs

Info

ID:

111891

PubChem CID:

50385282

Reduced:

ClN6O6C32H41 (1)

Stoich.:

AB6C6D32E41 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-236.35

Dipole, Da:

3.99

IP(EA), eV:

 -9.18(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]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(=O)NC3=CC(=C(C=C3)C(=O)NC)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations