(1S,5S,6R,9S,15E,20R)-6-[(2S)-2-Butanyl]-5-Hydroxy-20-[2-(Methylsulfinyl)Ethyl]-2-Oxa-11,12-Dithia-7,19,22-Triazabicyclo[7.7.6]Docos-15-Ene-3,8,18,21-Tetrone
Properties
| Property | Value |
|---|---|
| Formula | C23H37N3O7S3 |
| IUPAC Name | 2-[(15z)-5-hydroxy-3,8,18,21-tetraoxo-6-sec-butyl-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docos-15-en-20-yl]ethyl-methyl-oxido-sulfonium |
| Molecular Mass | 563.751 g·mol−1 |
| Heat of Formation | -1329.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.80 ± 1.08 D |
| Volume | 655.5 Å 3 |
| Surface Area | 451.05 Å 2 |
| HOMO Energy | -8.81 ± 0.55 eV |
| LUMO Energy | -1.14 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DISXKJJDDVRQSD-MKRVALBJSA-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 |