Geometry & MOs

Info

ID:

108867

PubChem CID:

50262081

Reduced:

O5N6C39H46 (1)

Stoich.:

A5B6C39D46 (1)

Weight, g/mol:

624.306018

ΔHf, kcal/mol:

-170.99

Dipole, Da:

11.73

IP(EA), eV:

 -8.66(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(methylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)NC6CCCC6

DOS

IR

Vibrations