Geometry & MOs

Info

ID:	23764
PubChem CID:	605987
Reduced:	SO2H8C10 (1)
Stoich.:	AB2C8D10 (1)
Weight, g/mol:	192.024501
ΔH_f, kcal/mol:	-51.37
Dipole, Da:	6.61
IP(EA), eV:	-9.1(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC(=C2)C(=O)O

DOS

IR

Vibrations