Methyl (1R,9R,12R,21R)-15,20-Dioxo-19-Oxa-8,16-Diazahexacyclo[10.6.4.0~1,9~.0~2,7~.0~9,21~.0~12,16~]Docosa-2,4,6,13-Tetraene-8-Carboxylate

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Formula C21H20N2O5
IUPAC Name methyl (1r,9r,12r,21r)-15,20-dioxo-19-oxa-8,16-diazahexacyclo[10.6.4.0 1,9 .0 2,7 .0 9,21 .0 12,16 ]docosa-2,4,6,13-tetraene-8-carboxylate
Molecular Mass 380.394 g·mol−1
Heat of Formation -603.9 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 415.89 Å 3
Surface Area 334.27 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
InChIKey STACHDUHGOCYFP-RKTMXUFFSA-N
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