Geometry & MOs

Info

ID:

108152

PubChem CID:

50232025

Reduced:

F3O5N6C43H45 (1)

Stoich.:

A3B5C6D43E45 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-288.93

Dipole, Da:

1.1

IP(EA), eV:

 -8.97(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2,5-difluorophenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]-1-[2-[4-[(5-fluoro-2-methylphenyl)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)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)NC6=C(C=CC(=C6)F)F)C

DOS

IR

Vibrations