Geometry & MOs

Info

ID:	371641
PubChem CID:	131269486
Reduced:	SO2F3H5C9 (1)
Stoich.:	AB2C3D5E9 (1)
Weight, g/mol:	226.009993
ΔH_f, kcal/mol:	-211.84
Dipole, Da:	5.08
IP(EA), eV:	-9.08(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=CC(=C2C(F)(F)F)O)O

DOS

IR

Vibrations