Geometry & MOs

Info

ID:	373885
PubChem CID:	131321013
Reduced:	SN2O3H6C10 (1)
Stoich.:	AB2C3D6E10 (1)
Weight, g/mol:	218.999014
ΔH_f, kcal/mol:	24.33
Dipole, Da:	6.9
IP(EA), eV:	-9.79(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-cyano-2-hydroxy-1-benzothiophene-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=C2C(=CSC2=C1CO)C#N)[N+](=O)[O-]

DOS

IR

Vibrations