3-(1-Methyl-7-Oxo-3-Propyl-4H-Pyrazolo[4,3-D]Pyrimidin-6-Ium-5-Yl)-N-[2-[(1S,2R)-1-Methylpyrrolidin-2-Yl]Ethyl]-4-Propoxy-Benzenesulfonamide
Properties
| Property | Value |
|---|---|
| Formula | C25H43N6O4S+ |
| IUPAC Name | 3-[(3s,3as,5r,7as)-1-methyl-7-oxo-3-propyl-3,3a,4,5,6,7a-hexahydro-2h-pyrazolo[4,3-d]pyrimidin-4-ium-5-yl]-n-[2-[(2r)-1-methylpyrrolidin-2-yl]ethyl]-4-propoxy-benzenesulfonamide |
| Molecular Mass | 523.712 g·mol−1 |
| Heat of Formation | -448.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.03 ± 1.08 D |
| Volume | 620.73 Å 3 |
| Surface Area | 495.77 Å 2 |
| HOMO Energy | -8.54 ± 0.55 eV |
| LUMO Energy | -1.33 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AEVHFCBPVARBNS-DHCZOYPBSA-O |
| QR Code | Generate QR Code |
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| Elements | H S C O N |