Geometry & MOs

Info

ID:

97069

PubChem CID:

50027381

Reduced:

F2N6O6C37H44 (1)

Stoich.:

A2B6C6D37E44 (1)

Weight, g/mol:

738.390497

ΔHf, kcal/mol:

-303.08

Dipole, Da:

5.27

IP(EA), eV:

 -9.1(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclopentylcarbamoyl)-2-methylphenyl]-1-[1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC(C)C)OC

DOS

IR

Vibrations