Geometry & MOs

Info

ID:	373466
PubChem CID:	131315694
Reduced:	FSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	240.025643
ΔH_f, kcal/mol:	-135.54
Dipole, Da:	2.58
IP(EA), eV:	-9.06(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-fluoro-2-(hydroxymethyl)-1-benzothiophene-6-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=CC=CC(=C2S1)CO)F

DOS

IR

Vibrations