Geometry & MOs

Info

ID:

103339

PubChem CID:

50071451

Reduced:

F2N6O6C41H44 (1)

Stoich.:

A2B6C6D41E44 (1)

Weight, g/mol:

554.189625

ΔHf, kcal/mol:

-277.41

Dipole, Da:

2.46

IP(EA), eV:

 -8.62(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)OC)F

DOS

IR

Vibrations