Geometry & MOs

Info

ID:	372822
PubChem CID:	131305496
Reduced:	SN2O2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	280.91461
ΔH_f, kcal/mol:	-46.02
Dipole, Da:	3.56
IP(EA), eV:	-9.31(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1C=CCN)S(=O)(=O)C

DOS

IR

Vibrations