Geometry & MOs

Info

ID:

113335

PubChem CID:

50440599

Reduced:

FN3O3C20H23 (2)

Stoich.:

AB3C3D20E23 (2)

Weight, g/mol:

742.365425

ΔHf, kcal/mol:

-297.69

Dipole, Da:

6.03

IP(EA), eV:

 -8.97(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]-1-[1-[1-[3-[(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=CC=CC(=C5C)C(=O)NC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations