Geometry & MOs

Info

ID:	374485
PubChem CID:	131330278
Reduced:	BrSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	222.035065
ΔH_f, kcal/mol:	-57.95
Dipole, Da:	5.23
IP(EA), eV:	-9.03(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-methyl-1-benzothiophene-7-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C=C1C(=O)O)SC=C2)CBr

DOS

IR

Vibrations