(2Z)-2-(2-Aminothiazol-4-Yl)-2-Methoxyimino-1-(3-Oxido-4,5,6,7-Tetrahydrobenzotriazole-2,3A,4,5,6,7,7A-Heptaid-1-Yl)Ethanone

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Properties Simple | Detailed

Formula C12H18N6O3S+
IUPAC Name (2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-1-(3-oxido-4,5,6,7-tetrahydrobenzotriazole-2,3a,4,5,6,7,7a-heptaid-1-yl)ethanone
Molecular Mass 326.375 g·mol−1
Heat of Formation 401.0 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 334.82 Å 3
Surface Area 310.7 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey KFJBHFUCOYZXKJ-GDNBJRDFSA-N
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