2-[1-(Benzyloxy)-2-Propanyl]-3-Methyl-6-Oxo-5-(2-Oxopropyl)Tetrahydro-2H-Pyran-4-Yl 3,5-Dinitrobenzoate

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Formula C26H28N2O10
IUPAC Name cyclohepta-1,3,5-triene; 5-[[(1r,5r)-2,6-dinitro-4-(oxomethylene)-3-bicyclo[3.1.0]hexanylidene]methylene]-6-ethynyl-3-(oxiran-2-ylidenemethylene)tetrahydropyran-2,4-dione; formaldehyde
Molecular Mass 528.508 g·mol−1
Heat of Formation 2786.8 ± 16.7 kJ·mol−1
Dipole Moment 7.61 ± 1.08 D
Volume 564.93 Å 3
Surface Area 507.59 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -2.58 ± eV
Point Group Symmetry C1
InChIKey QFCHHSMYAFEZCK-JZXQQEJRSA-N
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