Geometry & MOs

Info

ID:

116051

PubChem CID:

50544859

Reduced:

Cl2O4N5C32H41 (1)

Stoich.:

A2B4C5D32E41 (1)

Weight, g/mol:

609.308183

ΔHf, kcal/mol:

-183.31

Dipole, Da:

6.03

IP(EA), eV:

 -9.01(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=CC=C4)Cl)Cl

DOS

IR

Vibrations