Geometry & MOs

Info

ID:	372635
PubChem CID:	131301249
Reduced:	FO2S2H7C10 (1)
Stoich.:	AB2C2D7E10 (1)
Weight, g/mol:	241.98715
ΔH_f, kcal/mol:	-87.49
Dipole, Da:	4.27
IP(EA), eV:	-9.16(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=C(C2=C(C=C1)C=C(S2)F)C(=O)O

DOS

IR

Vibrations