(4R,12As)-N-[(2,4-Difluorophenyl)Methyl]-7-Hydroxy-4-Methyl-6,8-Dioxo-3,4,12,12A-Tetrahydro-2H-Pyrido[6,7]Pyrazino[1,5-B][1,3]Oxazin-11-Ium-7-Ylium-9-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C20H24F2N3O5+ |
| IUPAC Name | (4r,12as)-n-[(2,4-difluorophenyl)methyl]-7-hydroxy-4-methyl-6,8-dioxo-2,3,4,10,12,12a-hexahydropyrido[5,6]pyrazino[2,6-b][1,3]oxazine-6a,7,9,10-tetraide-9-carboxamide |
| Molecular Mass | 424.418 g·mol−1 |
| Heat of Formation | -1034.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.11 ± 1.08 D |
| Volume | 449.69 Å 3 |
| Surface Area | 387.51 Å 2 |
| HOMO Energy | -9.15 ± 0.55 eV |
| LUMO Energy | -0.96 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XNAUPORRPGUGKR-ZSJDLKKHSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |