Geometry & MOs

Info

ID:	186733
PubChem CID:	77476173
Reduced:	NC12H15 (1)
Stoich.:	AB12C15 (1)
Weight, g/mol:	498.160027
ΔH_f, kcal/mol:	34.21
Dipole, Da:	1.53
IP(EA), eV:	-9.39(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-5-phenylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C2C1C(CC2C3=CC=CC=C3)N

DOS

IR

Vibrations