5-Methyl-6-Phenyl-1,2,3-Oxathiazin-4(3H)-One 2,2-Dioxide

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Properties Simple | Detailed

Formula C10H9NO4S
IUPAC Name 5-methyl-2,2-dioxo-6-phenyl-oxathiazin-4-one
Molecular Mass 239.248 g·mol−1
Heat of Formation -529.3 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 252.02 Å 3
Surface Area 233.43 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-diketo-5-methyl-6-phenyl-oxathiazin-4-one
  • 5-methyl-2,2-dioxo-6-phenyl-1,2,3-oxathiazin-4-one
  • 5-methyl-2,2-dioxo-6-phenyl-4-oxathiazinone
  • 5-methyl-2,2-dioxo-6-phenyloxathiazin-4-one
InChIKey ZOKWYUROYRVTNI-UHFFFAOYSA-N
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