11-Acetyl-8-[(Carbamoyloxy)Methyl]-4-Formyl-14-Oxa-1,11-Diazatetracyclo[7.4.1.0~2,7~.0~10,12~]Tetradeca-2,4,6-Triene-6,9-Diyl Diacetate

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Formula C20H21N3O9+
IUPAC Name (8r,9r,10s,12s)-11-acetyl-8-[(carbamoyloxy)methyl]-4-formyl-14-oxa-1,11-diazatetracyclo[7.4.1.0 2,7 .0 10,12 ]tetradeca-2,4,6-triene-6,9-diyl diacetate
Molecular Mass 447.395 g·mol−1
Heat of Formation -1190.3 ± 16.7 kJ·mol−1
Dipole Moment 7.35 ± 1.08 D
Volume 486.73 Å 3
Surface Area 381.93 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C1
InChIKey FBXPCVIKIBWXAE-WZUAHMNESA-N
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