[5-Amino-8-(Aminomethyl)-2-(2-Furyl)-[1,2,4]Triazolo[1,5-C]Pyrimidin-4-Ium-5-Id-7-Yl]-[2-[4-(2-Fluoro-4-Iodo-Phenyl)Piperazin-1-Yl]Ethyl]Azanide
Properties
Property | Value |
---|---|
Formula | C22H23FIN9O |
IUPAC Name | (7z,8e)-8-(aminomethylene)-7-[2-[4-(2-fluoro-4-(123i)iodanyl-phenyl)piperazin-1-yl]ethylimino]-2-(2-furyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine |
Molecular Mass | 571.382 g·mol−1 |
Heat of Formation | 444.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.44 ± 1.08 D |
Volume | 556.75 Å 3 |
Surface Area | 492.54 Å 2 |
HOMO Energy | -8.55 ± 0.55 eV |
LUMO Energy | 1.13 ± eV |
Point Group Symmetry | C1 |
InChIKey | AFYNYBQDRFWYTE-TZPOWQGUSA-N |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F I H O N |