6-Bromo-13-Thia-2,4,8,12,19-Pentaazatricyclo[12.3.1.1~3,7~]Nonadeca-1(18),3(19),4,6,14,16-Hexaene 13,13-Dioxide
Properties
| Property | Value |
|---|---|
| Formula | C13H14BrN5O2S |
| IUPAC Name | 6-bromo-13λ6-thia-2,4,8,12,19-pentazatricyclo[12.3.1.13,7]nonadeca-1(18),3,5,7(19),14,16-hexaene 13,13-dioxide |
| Molecular Mass | 384.252 g·mol−1 |
| Heat of Formation | -39.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.29 ± 1.08 D |
| Volume | 363.13 Å 3 |
| Surface Area | 306.71 Å 2 |
| HOMO Energy | -8.94 ± 0.55 eV |
| LUMO Energy | -1.11 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AWSQADBSXFTFKL-UHFFFAOYSA-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 |