Geometry & MOs

Info

ID:	405826
PubChem CID:	135075586
Reduced:	KSO5H7C9 (1)
Stoich.:	ABC5D7E9 (1)
Weight, g/mol:	228.009245
ΔH_f, kcal/mol:	-213.93
Dipole, Da:	8.85
IP(EA), eV:	-8.82(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-3-methyl-1-benzofuran-2-sulfonic acid

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC(=C2)O)S(=O)(=O)[O-].[K+]

DOS

IR

Vibrations