(6R)-6-[(6S)-4-(Dioxiran-3-Yl)-3-(2-Hydroxyethynyl)-5-Oxo-2-Bicyclo[4.1.0]Hept-3-Enyl]-4-Ethynyl-3-(Oxomethylene)-6H-1-Benzoxepine-2,5,9-Trione

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Properties Simple | Detailed

Formula C23H12O9
IUPAC Name (6r)-6-[(6s)-4-(dioxiran-3-yl)-3-(2-hydroxyethynyl)-5-oxo-2-bicyclo[4.1.0]hept-3-enyl]-4-ethynyl-3-(oxomethylene)-6h-1-benzoxepine-2,5,9-trione
Molecular Mass 432.336 g·mol−1
Heat of Formation -1146.8 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 553.22 Å 3
Surface Area 447.28 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
InChIKey RSVFSMISAGENOT-IHHAGJFESA-N
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