Geometry & MOs

Info

ID:	373577
PubChem CID:	131317474
Reduced:	BrClSO2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	303.89604
ΔH_f, kcal/mol:	-50.72
Dipole, Da:	6.03
IP(EA), eV:	-9.32(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(chloromethyl)-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=C(C=C21)Br)C(=O)O)CCl

DOS

IR

Vibrations