Geometry & MOs

Info

ID:

103862

PubChem CID:

50077841

Reduced:

F2O4N5C33H35 (1)

Stoich.:

A2B4C5D33E35 (1)

Weight, g/mol:

617.281361

ΔHf, kcal/mol:

-210.46

Dipole, Da:

8.82

IP(EA), eV:

 -8.94(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-fluoro-2-methylphenyl)-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=CC(=CC=C5)F

DOS

IR

Vibrations