Geometry & MOs

Info

ID:	372058
PubChem CID:	131292717
Reduced:	FSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	238.009993
ΔH_f, kcal/mol:	-119.26
Dipole, Da:	3.64
IP(EA), eV:	-9.2(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-fluoro-7-hydroxy-1-benzothiophen-3-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1O)/C=C/C(=O)O)F

DOS

IR

Vibrations