Geometry & MOs

Info

ID:	373543
PubChem CID:	131316747
Reduced:	FSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	255.996093
ΔH_f, kcal/mol:	-135.76
Dipole, Da:	5.51
IP(EA), eV:	-9.32(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-ethoxy-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C=C(S2)C(=O)O)F)CO

DOS

IR

Vibrations