[1-[2-[5-(2H-Azirin-3-Yl)-3-Oxo-2,4-Bis(Oxomethylene)Cyclohexyl]Ethynyl]-4-Hydroxy-But-3-Ynyl]-Methylidyne-Ammonium; Formaldehyde; O-Isocyanatohydroxylamine
Properties
| Property | Value |
|---|---|
| Formula | C27H34N4O8 |
| IUPAC Name | (4s,4as,5ar,12ar)-4,7-bis(dimethylamino)-n-[2-(dimethylamino)acetyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4h-tetracene-11,11a-diide-2-carboxamide |
| Molecular Mass | 542.581 g·mol−1 |
| Heat of Formation | -1192.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 12.59 ± 1.08 D |
| Volume | 640.52 Å 3 |
| Surface Area | 479.33 Å 2 |
| HOMO Energy | -8.96 ± 0.55 eV |
| LUMO Energy | 1.71 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XEQNXUPAPCDWFW-DALPMJHXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |