Geometry & MOs

Info

ID:

112039

PubChem CID:

50392893

Reduced:

ClN6O6C36H47 (1)

Stoich.:

AB6C6D36E47 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-261.54

Dipole, Da:

12.38

IP(EA), eV:

 -8.84(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4)C(=O)NC5CCCCC5

DOS

IR

Vibrations