Geometry & MOs

Info

ID:

108441

PubChem CID:

50245442

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

730.248202

ΔHf, kcal/mol:

-265.15

Dipole, Da:

4.04

IP(EA), eV:

 -9.03(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations