Geometry & MOs

Info

ID:	373886
PubChem CID:	131321029
Reduced:	NSO3H5C10 (1)
Stoich.:	ABC3D5E10 (1)
Weight, g/mol:	218.999014
ΔH_f, kcal/mol:	-51.29
Dipole, Da:	1.51
IP(EA), eV:	-9.63(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-cyano-4-hydroxy-1-benzothiophene-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C2C=C(SC2=C1C#N)O)C(=O)O

DOS

IR

Vibrations