Geometry & MOs

Info

ID:	372362
PubChem CID:	131296597
Reduced:	SO4H8C10 (1)
Stoich.:	AB4C8D10 (1)
Weight, g/mol:	224.01433
ΔH_f, kcal/mol:	-118.22
Dipole, Da:	7.19
IP(EA), eV:	-8.87(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-methoxy-1-benzothiophene-6-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=CC=C2S1)C(=O)O)O

DOS

IR

Vibrations