[(4Z)-6-Isopropyl-4-[4-(1-Methylindol-5-Yl)-5-Oxo-1,2,4-Triazolidin-3-Ylidene]-3-Oxo-Cyclohexa-1,5-Dien-1-Yl] Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C20H21N4O6P |
IUPAC Name | [(4z)-6-isopropyl-4-[4-(1-methylindol-5-yl)-5-oxo-1,2,4-triazolidin-3-ylidene]-3-oxo-cyclohexa-1,5-dien-1-yl] dihydrogen phosphate |
Molecular Mass | 444.378 g·mol−1 |
Heat of Formation | -974.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.18 ± 1.08 D |
Volume | 495.13 Å 3 |
Surface Area | 393.73 Å 2 |
HOMO Energy | -8.27 ± 0.55 eV |
LUMO Energy | 2.19 ± eV |
Point Group Symmetry | C1 |
InChIKey | NEIJAMJWJGSJAC-XDJHFCHBSA-N |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C H O N |