Geometry & MOs

Info

ID:	5493
PubChem CID:	13226
Reduced:	NaSO3C8H9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	208.01701
ΔH_f, kcal/mol:	-158.43
Dipole, Da:	5.8
IP(EA), eV:	-8.89(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2,5-dimethylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations