1-(5-Nitrothiazol-3-Ium-5-Id-2-Yl)Imidazole-1,3-Diium-2-One

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Properties Simple | Detailed

Formula C6H4N4O3S
IUPAC Name 1-(5-nitrothiazol-3-ium-5-id-2-yl)imidazole-1,3-diium-2-one
Molecular Mass 212.186 g·mol−1
Heat of Formation 89.8 ± 16.7 kJ·mol−1
Dipole Moment 7.91 ± 1.08 D
Volume 208.54 Å 3
Surface Area 204.31 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 1.03 ± eV
Point Group Symmetry Cs
InChIKey DGNMSYLILODOKO-UHFFFAOYSA-N
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