Geometry & MOs

Info

ID:	373981
PubChem CID:	131321992
Reduced:	FSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	222.035065
ΔH_f, kcal/mol:	-110.9
Dipole, Da:	5.07
IP(EA), eV:	-9.13(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-hydroxy-1-benzothiophene-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=CC2=C1SC(=C2)F)CC(=O)O

DOS

IR

Vibrations