Geometry & MOs

Info

ID:	139396
PubChem CID:	52522055
Reduced:	FSN2O3C21H25 (1)
Stoich.:	ABC2D3E21F25 (1)
Weight, g/mol:	462.069497
ΔH_f, kcal/mol:	-139.99
Dipole, Da:	4.54
IP(EA), eV:	-8.34(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)sulfanyl-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CCSC2=CC=CC=C2F

DOS

IR

Vibrations