Geometry & MOs

Info

ID:	373384
PubChem CID:	131314434
Reduced:	SBr2O2H6C10 (1)
Stoich.:	AB2C2D6E10 (1)
Weight, g/mol:	349.84348
ΔH_f, kcal/mol:	-41.05
Dipole, Da:	4.2
IP(EA), eV:	-9.45(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-(bromomethyl)-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC2=C1C(=CS2)C(=O)O)Br)CBr

DOS

IR

Vibrations