1-(1,1-Dioxido-4H-1,4-Thiazin-4-Yl)Ethanone

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Properties Simple | Detailed

Formula C6H7NO3S
IUPAC Name 1-(1,1-dioxo-1,4-thiazin-4-yl)ethanone
Molecular Mass 173.190 g·mol−1
Heat of Formation -378.4 ± 16.7 kJ·mol−1
Dipole Moment 7.36 ± 1.08 D
Volume 179.17 Å 3
Surface Area 180.26 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-(1,1-diketo-1,4-thiazin-4-yl)ethanone
InChIKey BCWGCILEMQEFNW-UHFFFAOYSA-N
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