(6S)-2-Nitro-6-[[4-(Trifluoromethoxy)Phenyl]Methoxy]-3,5,6,7-Tetrahydroimidazo[2,1-B][1,3]Oxazin-1-Ium-3-Ide

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Formula C14H13F3N3O5
IUPAC Name (6s)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]oxazin-1-ium-3-ide
Molecular Mass 360.265 g·mol−1
Heat of Formation -857.4 ± 16.7 kJ·mol−1
Dipole Moment 8.80 ± 1.08 D
Volume 369.92 Å 3
Surface Area 339.16 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry C1
InChIKey DUFGXWYHKHCJSQ-NSHDSACASA-N
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