[4-Oxo-6-(5H-Pyrimidine-1,3-Diium-5-Id-2-Ylsulfanylmethyl)Pyran-3-Yl] 4-Nitrobenzoate
Properties
| Property | Value |
|---|---|
| Formula | C17H12N3O6S+ |
| IUPAC Name | [4-oxo-6-(5h-pyrimidine-1,3-diium-5-id-2-ylsulfanylmethyl)pyran-3-yl] 4-nitrobenzoate |
| Molecular Mass | 386.359 g·mol−1 |
| Heat of Formation | -216.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.51 ± 1.08 D |
| Volume | 408.26 Å 3 |
| Surface Area | 373.44 Å 2 |
| HOMO Energy | -9.25 ± 0.55 eV |
| LUMO Energy | -1.81 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HBWHJDBCCMYACW-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
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| Elements | H S C O N |