Geometry & MOs

Info

ID:

110230

PubChem CID:

50316040

Reduced:

F2O5N6C42H44 (1)

Stoich.:

A2B5C6D42E44 (1)

Weight, g/mol:

655.212838

ΔHf, kcal/mol:

-241.46

Dipole, Da:

7.35

IP(EA), eV:

 -8.9(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2,4-dichloroanilino)-3-oxopropyl]-1-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)C(=O)NC6=CC=CC=C6F)C

DOS

IR

Vibrations