Geometry & MOs

Info

ID:	2417
PubChem CID:	7402
Reduced:	SO3C8H10 (1)
Stoich.:	AB3C8D10 (1)
Weight, g/mol:	186.035065
ΔH_f, kcal/mol:	-115.25
Dipole, Da:	5.83
IP(EA), eV:	-10.38(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)O

DOS

IR

Vibrations