Geometry & MOs

Info

ID:

108777

PubChem CID:

50258164

Reduced:

F2O5N6C39H44 (1)

Stoich.:

A2B5C6D39E44 (1)

Weight, g/mol:

629.337733

ΔHf, kcal/mol:

-252.32

Dipole, Da:

9.18

IP(EA), eV:

 -9.12(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,5-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)C(=O)NC6=C(C=CC=C6F)F)C

DOS

IR

Vibrations