Geometry & MOs

Info

ID:

100028

PubChem CID:

50057666

Reduced:

FN3O3C20H23 (2)

Stoich.:

AB3C3D20E23 (2)

Weight, g/mol:

742.365425

ΔHf, kcal/mol:

-294.01

Dipole, Da:

11.24

IP(EA), eV:

 -8.89(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(cyclopentylcarbamoyl)-6-methylphenyl]-1-[1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCOCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=C(C=C6)F)F)C

DOS

IR

Vibrations