Geometry & MOs

Info

ID:	9385
PubChem CID:	88824
Reduced:	SO5H8C10 (1)
Stoich.:	AB5C8D10 (1)
Weight, g/mol:	240.009245
ΔH_f, kcal/mol:	-160.98
Dipole, Da:	4.34
IP(EA), eV:	-10.3(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hydroxy(methoxy)methylidene]-1,1-dioxo-1-benzothiophen-3-one

Drug info:

PubChemData

Smile

COC(=C1C(=O)C2=CC=CC=C2S1(=O)=O)O

DOS

IR

Vibrations