Batzelline A
Properties
| Property | Value |
|---|---|
| Formula | C12H11ClN2O2S |
| IUPAC Name | 9-chloro-2-methyl-3-methylsulfanyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione |
| Molecular Mass | 282.746 g·mol−1 |
| Heat of Formation | -109.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.05 ± 1.08 D |
| Volume | 299.09 Å 3 |
| Surface Area | 266.62 Å 2 |
| HOMO Energy | -8.65 ± 0.55 eV |
| LUMO Energy | 1.75 ± eV |
| Point Group Symmetry | C1 |
| CAS Number(s) |
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| InChIKey | HKTWRGLIRIBFJB-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |