[(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 Propionate
Properties
Property | Value |
---|---|
Formula | C29H31N3O8 |
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 propionate |
Molecular Mass | 549.572 g·mol−1 |
Heat of Formation | -869.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.10 ± 1.08 D |
Volume | 622.33 Å 3 |
Surface Area | 459.18 Å 2 |
HOMO Energy | -9.48 ± 0.55 eV |
LUMO Energy | -1.96 ± eV |
Point Group Symmetry | C1 |
InChIKey | HCGWVXFEHZVFMD-UIOOOSCTSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C O N |