(1S,14S)-19-Bromo-15-Thia-4,9,13-Triazahexacyclo[12.6.1.1~3,7~.0~1,16~.0~2,12~.0~10,22~]Docosa-2(12),3,7,10(22),16,19-Hexaene-11,18-Dione
Properties
| Property | Value |
|---|---|
| Formula | C18H12BrN3O2S |
| IUPAC Name | (1s,14s)-19-bromo-15-thia-4,9,13-triazahexacyclo[12.6.1.1 3,7 .0 1,16 .0 2,12 .0 10,22 ]docosa-2(12),3,7,10(22),16,19-hexaene-11,18-dione |
| Molecular Mass | 414.276 g·mol−1 |
| Heat of Formation | 202.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.84 ± 1.08 D |
| Volume | 386.37 Å 3 |
| Surface Area | 317.58 Å 2 |
| HOMO Energy | -8.70 ± 0.55 eV |
| LUMO Energy | -1.48 ± eV |
| Point Group Symmetry | C1 |
| Synonyms |
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| InChIKey | SVKKMXJIWIOCJC-VOJFVSQTSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C H O N S Br |