Geometry & MOs

Info

ID:

110344

PubChem CID:

50320762

Reduced:

O4N5C32H43 (1)

Stoich.:

A4B5C32D43 (1)

Weight, g/mol:

782.340353

ΔHf, kcal/mol:

-177.23

Dipole, Da:

5.11

IP(EA), eV:

 -8.74(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC(C)C)C

DOS

IR

Vibrations