Geometry & MOs

Info

ID:

100661

PubChem CID:

50063462

Reduced:

F3N6O6C41H41 (1)

Stoich.:

A3B6C6D41E41 (1)

Weight, g/mol:

660.287175

ΔHf, kcal/mol:

-303.74

Dipole, Da:

16.19

IP(EA), eV:

 -8.87(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-carbamoyl-6-methylphenyl)-1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6F)OC

DOS

IR

Vibrations