Dimethyl (16S)-16-Hydroxy-21-Oxo-2,12-Diazapentacyclo[14.2.2.1~9,12~.0~1,9~.0~3,8~]Henicosa-3,5,7,17-Tetraene-2,18-Dicarboxylate

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Formula C23H26N2O6
IUPAC Name dimethyl (1s,9s)-16-hydroxy-21-oxo-2,12-diazapentacyclo[14.2.2.1 9,12 .0 1,9 .0 3,8 ]henicosa-3,5,7,17-tetraene-2,18-dicarboxylate
Molecular Mass 426.462 g·mol−1
Heat of Formation -885.4 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 478.96 Å 3
Surface Area 359.27 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
InChIKey CTDOYMUKENYJJU-YTFSRNRJSA-N
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