1,5-Dihydroimidazo[4,5-C][1,2,6]Thiadiazin-4(3H)-One 2,2-Dioxide

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Properties Simple | Detailed

Formula C4H4N4O3S
IUPAC Name 2,2-dioxo-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-one
Molecular Mass 188.165 g·mol−1
Heat of Formation -320.8 ± 16.7 kJ·mol−1
Dipole Moment 3.30 ± 1.08 D
Volume 173.13 Å 3
Surface Area 174.76 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-diketo-1,5-dihydroimidazo[5,4-d][1,2,6]thiadiazin-4-one
InChIKey BSAXWMSAVVOOHO-UHFFFAOYSA-N
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