Geometry & MOs

Info

ID:	372773
PubChem CID:	131304341
Reduced:	BrNS2H8C11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	280.91461
ΔH_f, kcal/mol:	69.82
Dipole, Da:	3.45
IP(EA), eV:	-9.06(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-cyano-1-benzothiophene-5-carboxylic acid

Drug info:

PubChemData

Smile

CSC1=CC=CC2=C1SC(=C2C#N)CBr

DOS

IR

Vibrations