Geometry & MOs

Info

ID:

103831

PubChem CID:

50077368

Reduced:

F3O4N5C33H34 (1)

Stoich.:

A3B4C5D33E34 (1)

Weight, g/mol:

629.301348

ΔHf, kcal/mol:

-251.61

Dipole, Da:

11.31

IP(EA), eV:

 -8.92(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)-1-[1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations