Geometry & MOs

Info

ID:	371788
PubChem CID:	131271648
Reduced:	ClSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	238.009993
ΔH_f, kcal/mol:	-80.33
Dipole, Da:	3.9
IP(EA), eV:	-8.95(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-hydroxy-1-benzothiophen-5-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1O)C=C(S2)C=CC(=O)O)Cl

DOS

IR

Vibrations