4-(1,1-Dioxido-2H-1,2,4-Benzothiadiazin-3(4H)-Ylidene)-2,6-Bis(2-Methyl-2-Propanyl)-2,5-Cyclohexadien-1-One
Properties
| Property | Value |
|---|---|
| Formula | C21H26N2O3S |
| IUPAC Name | 2,6-ditert-butyl-4-(1,1-dioxo-4h-1λ6,2,4-benzothiadiazin-3-ylidene)cyclohexa-2,5-dien-1-one |
| Molecular Mass | 386.508 g·mol−1 |
| Heat of Formation | -365.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.77 ± 1.08 D |
| Volume | 463.54 Å 3 |
| Surface Area | 389.15 Å 2 |
| HOMO Energy | -8.20 ± 0.55 eV |
| LUMO Energy | -1.27 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SZKCSVKFCJZYIW-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |