Geometry & MOs

Info

ID:	220434
PubChem CID:	85195321
Reduced:	SO5C7H14 (1)
Stoich.:	AB5C7D14 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-235.01
Dipole, Da:	3.55
IP(EA), eV:	-9.53(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-2,4,6a,7,8,10a-hexahydro-1,5-benzodioxocin-6-one

Drug info:

PubChemData

Smile

COC1C(C(SC(C1O)O)CO)O

DOS

IR

Vibrations