Geometry & MOs

Info

ID:	27548
PubChem CID:	821987
Reduced:	ISO2H7C9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	192.024501
ΔH_f, kcal/mol:	-22.24
Dipole, Da:	5.91
IP(EA), eV:	-9.97(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-benzothiophene-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CS(=O)(=O)C2=C1C=C(C=C2)I

DOS

IR

Vibrations