28-Cyclohexyl-22-Methoxy-10,16-Dimethyl-13-Oxa-9-Thia-1,8,10,16-Tetraazapentacyclo[16.8.1.1~2,6~.1~3,26~.0~20,25~]Nonacosa-2(29),3,5,18,20,22,24,26(28)-Octaene-7,17-Dione 9,9-Dioxide
Properties
| Property | Value |
|---|---|
| Formula | C32H38N4O6S |
| IUPAC Name | 13-cyclohexyl-6-(oxomethylene)-10-sulfinatoazanidylcarbonyl-2,3,4,5,7,11-hexahydroindolo[2,1-a][2]benzazepin-8-ium-2,3,4,5,11-pentaide; 1-isocyano-2-(2-isocyanoethynoxy)acetylene; methanone |
| Molecular Mass | 606.732 g·mol−1 |
| Heat of Formation | -752.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.01 ± 1.08 D |
| Volume | 704.92 Å 3 |
| Surface Area | 535.33 Å 2 |
| HOMO Energy | -8.37 ± 0.55 eV |
| LUMO Energy | 2.17 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UOBYJVFBFSLCTQ-UHFFFAOYSA-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 |