Geometry & MOs

Info

ID:	8205
PubChem CID:	75322
Reduced:	SO3C10H14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	214.066365
ΔH_f, kcal/mol:	-120.65
Dipole, Da:	3.28
IP(EA), eV:	-8.87(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl) propane-2-sulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OS(=O)(=O)C(C)C

DOS

IR

Vibrations