Geometry & MOs

Info

ID:

112967

PubChem CID:

50427807

Reduced:

N6O6C43H48 (1)

Stoich.:

A6B6C43D48 (1)

Weight, g/mol:

744.363533

ΔHf, kcal/mol:

-176.78

Dipole, Da:

4.89

IP(EA), eV:

 -8.18(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methoxy-3-[(4-methylbenzoyl)amino]phenyl]-1-[1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC=CC=C6)OC

DOS

IR

Vibrations