2-[(3S)-3-Methyl-1,4-Dioxa-8-Azaspiro[4.5]Decan-8-Yl]-8-Nitro-6-(Trifluoromethyl)-1,3-Benzothiazin-4-One
Properties
| Property | Value |
|---|---|
| Formula | C17H16F3N3O5S |
| IUPAC Name | 2-[(3s)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one |
| Molecular Mass | 431.386 g·mol−1 |
| Heat of Formation | -1006.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.00 ± 1.08 D |
| Volume | 434.59 Å 3 |
| Surface Area | 374.31 Å 2 |
| HOMO Energy | -9.74 ± 0.55 eV |
| LUMO Energy | 0.97 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RWHCHPFZSBYGMD-VIFPVBQESA-N |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N S |