2-{6-[(4As,6R,8As)-6-Hydroxy-3-Methoxy-5,6,9,10-Tetrahydro-4Ah-[1]Benzofuro[3A,3,2-Ef][2]Benzazepin-11(12H)-Yl]Hexyl}-1,2-Benzothiazol-3(2H)-One 1,1-Dioxide
Properties
| Property | Value |
|---|---|
| Formula | C29H34N2O6S |
| IUPAC Name | 2-{6-[(4as,6r,8as)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4ah-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12h)-yl]hexyl}-1,2-benzothiazol-3(2h)-one 1,1-dioxide |
| Molecular Mass | 538.655 g·mol−1 |
| Heat of Formation | -744.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.41 ± 1.08 D |
| Volume | 618.69 Å 3 |
| Surface Area | 523.03 Å 2 |
| HOMO Energy | -8.32 ± 0.55 eV |
| LUMO Energy | 1.73 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VAEMEXGGRSPJEF-LOMAHXHCSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |