Geometry & MOs

Info

ID:	23036
PubChem CID:	601280
Reduced:	SO2H6C9 (1)
Stoich.:	AB2C6D9 (1)
Weight, g/mol:	178.008851
ΔH_f, kcal/mol:	-40.44
Dipole, Da:	5.15
IP(EA), eV:	-9.29(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CS2)C(=O)O

DOS

IR

Vibrations