[(1R,2S,10R,12R,13S)-12-Cyano-7,18-Dimethoxy-6,17,21-Trimethyl-5,8,16,19-Tetraoxo-11,21-Diazapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]Henicosa-4(9),6,15(20),17-Tetraen-10-Yl]Methyl (2Z)-2-Methyl-2-Butenoate

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Formula C21H25N3O8
IUPAC Name [(1r,2s,10r,12r,13s)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0 2,11 .0 4,9 .0 15,20 ]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (2z)-2-methyl-2-butenoate
Molecular Mass 447.438 g·mol−1
Heat of Formation -854.1 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 658.76 Å 3
Surface Area 454.57 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 1.26 ± eV
Point Group Symmetry C1
InChIKey QOGBZZDZYZICFV-NZDGDHNMSA-N
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