6-(1,1-Dioxo-1,4-Thiazinan-4-Yl)-N-(3-Methoxyphenyl)-1-Methyl-Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-4-Amine
Properties
| Property | Value |
|---|---|
| Formula | C17H20N6O3S |
| IUPAC Name | 6-(1,1-dioxo-1,4-thiazinan-4-yl)-n-(3-methoxyphenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-4-amine |
| Molecular Mass | 388.444 g·mol−1 |
| Heat of Formation | -69.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.47 ± 1.08 D |
| Volume | 431.93 Å 3 |
| Surface Area | 373.93 Å 2 |
| HOMO Energy | -8.76 ± 0.55 eV |
| LUMO Energy | -1.00 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CVHIOJZRWUFFPM-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |