Geometry & MOs

Info

ID:	372818
PubChem CID:	131305336
Reduced:	NSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	241.98715
ΔH_f, kcal/mol:	-36.04
Dipole, Da:	3.87
IP(EA), eV:	-9.48(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-6-methylsulfanyl-1-benzothiophene-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=CC(=C21)C=O)CO)[N+](=O)[O-]

DOS

IR

Vibrations