Geometry & MOs

Info

ID:	4686
PubChem CID:	11868
Reduced:	SO3C8H10 (1)
Stoich.:	AB3C8D10 (1)
Weight, g/mol:	186.035065
ΔH_f, kcal/mol:	-120.53
Dipole, Da:	4.89
IP(EA), eV:	-9.68(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethylbenzenesulfonic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations