Geometry & MOs

Info

ID:

112163

PubChem CID:

50397739

Reduced:

N3O3C20H27 (2)

Stoich.:

A3B3C20D27 (2)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-243.75

Dipole, Da:

10.09

IP(EA), eV:

 -8.73(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)C)C

DOS

IR

Vibrations