Geometry & MOs

Info

ID:	338864
PubChem CID:	127259875
Reduced:	FSO3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	228.082016
ΔH_f, kcal/mol:	-136.83
Dipole, Da:	5.84
IP(EA), eV:	-9.32(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylethyl propane-1-sulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C2)F

DOS

IR

Vibrations