(1R,4S,7R,8S,18S)-4-Benzyl-7-Methyl-18-[2-(Methylsulfanyl)Ethyl]-6-Oxa-13,20-Dithia-3,10,17,22,23,24-Hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]Tetracosa-5(24),12(23),14,19(22)-Tetraene-2,9,16-Trione
Properties
| Property | Value |
|---|---|
| Formula | C26H30N6O4S3 |
| IUPAC Name | (1r,4s,7r,8s,18s)-4-benzyl-7-methyl-18-[2-(methylsulfanyl)ethyl]-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1 5,8 .1 12,15 ]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione |
| Molecular Mass | 586.749 g·mol−1 |
| Heat of Formation | -281.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.74 ± 1.08 D |
| Volume | 689.23 Å 3 |
| Surface Area | 510.52 Å 2 |
| HOMO Energy | -8.39 ± 0.55 eV |
| LUMO Energy | -0.99 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MLBROOJXUZKDHY-PKPICYNOSA-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 |