Geometry & MOs

Info

ID:	7031
PubChem CID:	71021
Reduced:	SO4C10H12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	228.04563
ΔH_f, kcal/mol:	-135.9
Dipole, Da:	6.16
IP(EA), eV:	-9.87(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylprop-2-enoxy)benzenesulfonic acid

Drug info:

PubChemData

Smile

CC(=C)COC1=CC=C(C=C1)S(=O)(=O)O

DOS

IR

Vibrations