4-(2,3-Dihydro-1,4-Benzodioxin-6-Yl)-5-(5-Nitrothiazol-3-Ium-5-Id-2-Yl)Sulfanyl-1,2,4-Triazole-2,4-Diium-3-One

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Formula C13H10N5O5S2
IUPAC Name 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5-nitrothiazol-3-ium-5-id-2-yl)sulfanyl-1,2,4-triazole-2,4-diium-3-one
Molecular Mass 380.379 g·mol−1
Heat of Formation -10.3 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 379.54 Å 3
Surface Area 300.08 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 0.69 ± eV
Point Group Symmetry C1
InChIKey QARAHGZJTMJUCW-UHFFFAOYSA-N
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