N-[2-[5-[5-[[(2R,6S)-2,6-Dimethyl-4-Piperidyl]Sulfonyl]-2-Ethoxy-Phenyl]-1-Methyl-3-Propyl-Pyrazolo[4,3-D]Pyrimidin-1-Ium-5-Ylium-7-Yl]Oxythiazol-5-Yl]-N-Methyl-Nitrous Amide
Properties
| Property | Value |
|---|---|
| Formula | C28H36N8O5S2 |
| IUPAC Name | n-[2-[5-[5-[[(2r,6s)-2,6-dimethyl-4-piperidyl]sulfonyl]-2-ethoxy-phenyl]-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-7-yl]oxythiazol-5-yl]-n-methyl-nitrous amide |
| Molecular Mass | 628.766 g·mol−1 |
| Heat of Formation | -154.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.49 ± 1.08 D |
| Volume | 727.26 Å 3 |
| Surface Area | 529.03 Å 2 |
| HOMO Energy | -8.68 ± 0.55 eV |
| LUMO Energy | 1.80 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BNIFBESUYAAZKT-IZZQQSIFSA-N |
| QR Code | Generate QR Code |
| Links | PubChem |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |