Geometry & MOs

Info

ID:

111494

PubChem CID:

50370306

Reduced:

ClN5O5C34H44 (1)

Stoich.:

AB5C5D34E44 (1)

Weight, g/mol:

635.323833

ΔHf, kcal/mol:

-213.22

Dipole, Da:

5.99

IP(EA), eV:

 -9.22(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(cyclopentylcarbamoyl)phenyl]-1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)N4CCOCC4)C(=O)NC5CCCCC5

DOS

IR

Vibrations