Geometry & MOs

Info

ID:	9006
PubChem CID:	84954
Reduced:	S2C7O7H8 (1)
Stoich.:	A2B7C7D8 (1)
Weight, g/mol:	267.971145
ΔH_f, kcal/mol:	-282.06
Dipole, Da:	6.75
IP(EA), eV:	-10.84(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-6-methylbenzene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)O

DOS

IR

Vibrations