Geometry & MOs

Info

ID:	374336
PubChem CID:	131326972
Reduced:	BrSO2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	303.89604
ΔH_f, kcal/mol:	-41.44
Dipole, Da:	1.34
IP(EA), eV:	-8.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-7-(chloromethyl)-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1SC=C2OC)CBr

DOS

IR

Vibrations