Geometry & MOs

Info

ID:

108394

PubChem CID:

50243291

Reduced:

F2O5N6C42H44 (1)

Stoich.:

A2B5C6D42E44 (1)

Weight, g/mol:

655.212838

ΔHf, kcal/mol:

-238.21

Dipole, Da:

10.96

IP(EA), eV:

 -8.7(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3,5-dichloroanilino)-3-oxopropyl]-1-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)NC6=C(C=C(C=C6)F)F)C

DOS

IR

Vibrations