Geometry & MOs

Info

ID:

99361

PubChem CID:

50050212

Reduced:

F3O4N5H36C37 (1)

Stoich.:

A3B4C5D36E37 (1)

Weight, g/mol:

673.226739

ΔHf, kcal/mol:

-226.04

Dipole, Da:

5.99

IP(EA), eV:

 -9.04(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations