Geometry & MOs

Info

ID:	373406
PubChem CID:	131314752
Reduced:	FSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	226.009993
ΔH_f, kcal/mol:	-131.65
Dipole, Da:	4.5
IP(EA), eV:	-8.73(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-fluoro-3-hydroxy-1-benzothiophene-7-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CSC2=C1C(=C(C=C2)F)O

DOS

IR

Vibrations