N-(1,3-Bis{[4,5,6-Trihydroxy-2-(Hydroxymethyl)Tetrahydro-2H-Pyran-3-Yl]Oxy}-2-Propanyl)-4-[3-(Trifluoromethyl)-3H-Diaziren-3-Yl]Benzamide

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Formula C24H41F3N3O13
IUPAC Name [(z)-[3-(difluoromethyl)spiro[1-aza-2-azanidabicyclo[1.1.0]butane-4,4'-cyclohexa-2,5-diene]-1'-ylidene]methyl]-(1-methylvinyl)ammonium; hydron; (6z)-6-(hydroxymethylene)-3,4-dihydropyran-2,4-diide-2,3-diol; (6z)-6-(hydroxymethylene)-4,5-dihydro-3h-pyran-2,4,5-triide-2,3-diol; dihydroxide; trihydrate; hydrofluoride
Molecular Mass 641.630 g·mol−1
Heat of Formation -2550.0 ± 16.7 kJ·mol−1
Dipole Moment 8.45 ± 1.08 D
Volume 683.72 Å 3
Surface Area 542.06 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
InChIKey NPJHSWNPVIJJGQ-ZGYADCBPSA-N
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