[(4Ar,6E,8R,8Ar,10S)-3-Bromo-2-(Cyclopropylmethoxy)-8-[(4-Methoxybenzyl)Sulfanyl]-6-(Methoxyimino)-5,6,7,8,9,10,11,12-Octahydro-4Ah-[1]Benzofuro[3A,3,2-Ef][2]Benzazepin-10-Yl]Methanol
Properties
| Property | Value |
|---|---|
| Formula | C29H35BrN2O5S |
| IUPAC Name | [(4ar,6e,8r,8ar,10s)-3-bromo-2-(cyclopropylmethoxy)-8-[(4-methoxybenzyl)sulfanyl]-6-(methoxyimino)-5,6,7,8,9,10,11,12-octahydro-4ah-[1]benzofuro[3a,3,2-ef][2]benzazepin-10-yl]methanol |
| Molecular Mass | 603.568 g·mol−1 |
| Heat of Formation | -412.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.38 ± 1.08 D |
| Volume | 653.16 Å 3 |
| Surface Area | 523.52 Å 2 |
| HOMO Energy | -8.63 ± 0.55 eV |
| LUMO Energy | 2.84 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IKGMLEFAZJXZJE-YTQGRRGHSA-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 |