Geometry & MOs

Info

ID:	373982
PubChem CID:	131322024
Reduced:	SO3H10C11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	222.035065
ΔH_f, kcal/mol:	-102.04
Dipole, Da:	4.57
IP(EA), eV:	-9.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-7-hydroxy-1-benzothiophene-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC2=CC(=C(C=C2S1)O)C(=O)O

DOS

IR

Vibrations