Geometry & MOs

Info

ID:	372057
PubChem CID:	131292716
Reduced:	FSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	238.009993
ΔH_f, kcal/mol:	-119.1
Dipole, Da:	6.09
IP(EA), eV:	-9.23(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-fluoro-5-hydroxy-1-benzothiophen-6-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1O)SC(=C2/C=C/C(=O)O)F

DOS

IR

Vibrations