(4S,18S)-4,7-Dimethyl-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-1(21),5(24),7,12(23),14,19(22)-Hexaene-2,9,16-Trione
Properties
| Property | Value |
|---|---|
| Formula | C20H22N6O4S3 |
| IUPAC Name | (4s,18s)-4,7-dimethyl-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-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione |
| Molecular Mass | 506.621 g·mol−1 |
| Heat of Formation | -277.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.44 ± 1.08 D |
| Volume | 562.58 Å 3 |
| Surface Area | 464.87 Å 2 |
| HOMO Energy | -8.44 ± 0.55 eV |
| LUMO Energy | -1.31 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DMFUPHMBLSJHNR-ONGXEEELSA-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 |