Geometry & MOs

Info

ID:	294455
PubChem CID:	117461980
Reduced:	SO5C13H18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	286.115127
ΔH_f, kcal/mol:	-181.72
Dipole, Da:	5.93
IP(EA), eV:	-8.72(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluoro-3-methylsulfonylphenyl)ethyl]piperazine

Drug info:

PubChemData

Smile

CC(CO)C1=CC(=C(C=C1)OC2CS(=O)(=O)C2)OC

DOS

IR

Vibrations