Geometry & MOs

Info

ID:	158210
PubChem CID:	56463167
Reduced:	FSO2N3C21H26 (1)
Stoich.:	ABC2D3E21F26 (1)
Weight, g/mol:	467.089339
ΔH_f, kcal/mol:	-114.45
Dipole, Da:	5.53
IP(EA), eV:	-9.49(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NC2CCN(CC2)C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations