4-{4-[(1E,3E)-5-(1,3-Dibutyl-2,4,6-Trioxotetrahydro-5(2H)-Pyrimidinylidene)-1,3-Pentadien-1-Yl]-3-Methyl-5-Oxo-4,5-Dihydro-1H-Pyrazol-1-Yl}Benzenesulfonic Acid
Properties
| Property | Value |
|---|---|
| Formula | C27H32N4O7S |
| IUPAC Name | 1,3-dibutyl-5-[(2e,4e)-5-[(4r)-3-methyl-5-oxo-1-(4-sulfophenyl)-4h-pyrazol-4-yl]penta-2,4-dienylidene]hexahydropyrimidine-2,4,6-trione |
| Molecular Mass | 556.631 g·mol−1 |
| Heat of Formation | 3040.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 39.84 ± 1.08 D |
| Volume | 545.82 Å 3 |
| Surface Area | 456.81 Å 2 |
| HOMO Energy | -8.97 ± 0.55 eV |
| LUMO Energy | -3.69 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZSJQWOYTDGVNSG-XQIIFVHESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |