2-[3-[2-(4,5-Dimethylthiazol-1-Ium-5-Ylium-2-Yl)-3-(4-Sulfonatophenyl)-4-Aza-2,3-Diazonia-1-Azanidacyclopenta-2,4-Dien-5-Yl]Phenoxy]Acetic Acid
Properties
| Property | Value |
|---|---|
| Formula | C20H21N5O6S2 |
| IUPAC Name | 2-[3-[(3r,5r)-2-(4,5-dimethylthiazol-2-yl)-3-(4-sulfophenyl)tetrazolidin-5-yl]phenoxy]acetic acid |
| Molecular Mass | 491.541 g·mol−1 |
| Heat of Formation | -482.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.11 ± 1.08 D |
| Volume | 531.49 Å 3 |
| Surface Area | 421.89 Å 2 |
| HOMO Energy | -9.04 ± 0.55 eV |
| LUMO Energy | 2.08 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AILFKVKYMJJBRG-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |