(1S,3R,11R,14S)-14-(Hydroxymethyl)-3-(1H-Indol-3-Yl)-19-Methyl-15,16,17-Trithia-10,12,19-Triazapentacyclo[12.3.2.0~1,12~.0~3,11~.0~4,9~]Nonadeca-4,6,8-Triene-13,18-Dione
Properties
| Property | Value |
|---|---|
| Formula | C23H20N4O3S3 |
| IUPAC Name | (1s,3r,11r,14s)-14-(hydroxymethyl)-3-(1h-indol-3-yl)-19-methyl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.0 1,12 .0 3,11 .0 4,9 ]nonadeca-4,6,8-triene-13,18-dione |
| Molecular Mass | 496.625 g·mol−1 |
| Heat of Formation | 13.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.52 ± 1.08 D |
| Volume | 518.72 Å 3 |
| Surface Area | 393.87 Å 2 |
| HOMO Energy | -8.53 ± 0.55 eV |
| LUMO Energy | 1.24 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AKCLRALPZXLOBG-PVSGBFIBSA-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 |