Bal30072

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Formula C16H24N6O10S2+
IUPAC Name [(3s)-3-[[(2z)-2-(2-amino-5h-thiazol-3-ium-5-id-4-yl)-2-[(1,5-dihydroxy-4-oxo-3h-pyridin-1-ium-3-id-2-yl)methoxyimino]acetyl]amino]-2,2-dimethyl-4-oxo-azetidin-1-yl] hydrogen sulfate
Molecular Mass 524.526 g·mol−1
Heat of Formation -928.7 ± 16.7 kJ·mol−1
Dipole Moment 11.11 ± 1.08 D
Volume 534.32 Å 3
Surface Area 433.18 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
InChIKey KLFSEZJCLYBFKQ-WXYNYTDUSA-N
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