Geometry & MOs

Info

ID:	371787
PubChem CID:	131271647
Reduced:	FSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	253.980443
ΔH_f, kcal/mol:	-123.02
Dipole, Da:	3.04
IP(EA), eV:	-9.2(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-chloro-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)F

DOS

IR

Vibrations