Geometry & MOs

Info

ID:

95377

PubChem CID:

50008873

Reduced:

O5N6C35H46 (1)

Stoich.:

A5B6C35D46 (1)

Weight, g/mol:

630.352969

ΔHf, kcal/mol:

-206.8

Dipole, Da:

5.31

IP(EA), eV:

 -8.97(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC)C

DOS

IR

Vibrations