Geometry & MOs

Info

ID:	373887
PubChem CID:	131321040
Reduced:	NSO3H5C10 (1)
Stoich.:	ABC3D5E10 (1)
Weight, g/mol:	218.999014
ΔH_f, kcal/mol:	-51.92
Dipole, Da:	8.45
IP(EA), eV:	-9.59(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-cyano-5-hydroxy-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=C(C=C2C#N)C(=O)O)O

DOS

IR

Vibrations