Geometry & MOs

Info

ID:	371786
PubChem CID:	131271646
Reduced:	ISO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	238.009993
ΔH_f, kcal/mol:	-57.12
Dipole, Da:	3.14
IP(EA), eV:	-9.13(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-fluoro-4-hydroxy-1-benzothiophen-2-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations