(13R,15S)-13-Methyl-16-Oxa-8,9,12,22,24-Pentaazahexacyclo[15.6.2.1~6,9~.1~12,15~.0~2,7~.0~21,25~]Heptacosa-1(24),2,4,6,17(25),18,20-Heptaene-23,27-Dione
Properties
| Property | Value |
|---|---|
| Formula | C22H21N5O3 |
| IUPAC Name | (13r,15s)-13-methyl-16-oxa-8,9,12,22,24-pentaazahexacyclo[15.6.2.1 6,9 .1 12,15 .0 2,7 .0 21,25 ]heptacosa-1(24),2,4,6,17(25),18,20-heptaene-23,27-dione |
| Molecular Mass | 403.434 g·mol−1 |
| Heat of Formation | -49.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.62 ± 1.08 D |
| Volume | 448.09 Å 3 |
| Surface Area | 356.6 Å 2 |
| HOMO Energy | -8.11 ± 0.55 eV |
| LUMO Energy | 1.79 ± eV |
| Point Group Symmetry | C1 |
| Synonyms |
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| InChIKey | KBLPHMRCKHFBJB-OLZOCXBDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |