Geometry & MOs

Info

ID:	373385
PubChem CID:	131314438
Reduced:	SBr2O2H6C10 (1)
Stoich.:	AB2C2D6E10 (1)
Weight, g/mol:	363.85913
ΔH_f, kcal/mol:	-42.8
Dipole, Da:	4.37
IP(EA), eV:	-9.47(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-3-(bromomethyl)-1-benzothiophen-6-yl]acetic acid

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1CBr)C=C(S2)C(=O)O)Br

DOS

IR

Vibrations