Geometry & MOs

Info

ID:	19166
PubChem CID:	556018
Reduced:	SO3H6C8 (1)
Stoich.:	AB3C6D8 (1)
Weight, g/mol:	182.003765
ΔH_f, kcal/mol:	-53.39
Dipole, Da:	4.71
IP(EA), eV:	-9.56(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxa-10-thiatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

C1=CC2C3C(C1S2)C(=O)OC3=O

DOS

IR

Vibrations