(2R,5S,11S,17S,20S,23S)-2-Benzyl-20-[(2S)-2-Butanyl]-17-Isopropyl-25-Thia-3,9,15,18,21,26-Hexaazatetracyclo[21.2.1.0~5,9~.0~11,15~]Hexacos-1(26)-Ene-4,10,16,19,22-Pentone
Properties
| Property | Value |
|---|---|
| Formula | C33H46N6O5S |
| IUPAC Name | (2r,5s,11s,17s,20s,23s)-2-benzyl-20-[(2s)-2-butanyl]-17-isopropyl-25-thia-3,9,15,18,21,26-hexaazatetracyclo[21.2.1.0 5,9 .0 11,15 ]hexacos-1(26)-ene-4,10,16,19,22-pentone |
| Molecular Mass | 638.821 g·mol−1 |
| Heat of Formation | -838.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.66 ± 1.08 D |
| Volume | 798.19 Å 3 |
| Surface Area | 552.5 Å 2 |
| HOMO Energy | -8.86 ± 0.55 eV |
| LUMO Energy | -0.85 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PCJVGSSHAGXUGI-NIGUMGSVSA-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 |