Geometry & MOs

Info

ID:

112166

PubChem CID:

50397795

Reduced:

O5N6C39H54 (1)

Stoich.:

A5B6C39D54 (1)

Weight, g/mol:

756.381075

ΔHf, kcal/mol:

-243.7

Dipole, Da:

4.56

IP(EA), eV:

 -8.83(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5CCCC5)C

DOS

IR

Vibrations