4-[4-[2-[(1R)-7-Fluoro-1-(Isocyanatomethyl)-2-Methylene-3,5,6,8-Tetrahydroquinoline-3,4,4A,5,6,7,8,8A-Octaid-4-Yl]Ethyl]Piperazin-1-Yl]-7H-Thieno[3,2-C]Pyridin-5-Ium-7-Ide
Properties
Property | Value |
---|---|
Formula | C25H26FN5OS |
IUPAC Name | 4-[4-[2-[(1r)-7-fluoro-1-(isocyanatomethyl)-2-methylene-3,5,6,8-tetrahydroquinoline-3,4,4a,5,6,7,8,8a-octaid-4-yl]ethyl]piperazin-1-yl]-7h-thieno[3,2-c]pyridin-5-ium-7-ide |
Molecular Mass | 463.570 g·mol−1 |
Heat of Formation | 74.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.75 ± 1.08 D |
Volume | 538.66 Å 3 |
Surface Area | 455.14 Å 2 |
HOMO Energy | -8.39 ± 0.55 eV |
LUMO Energy | 2.11 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZDPDWSUPGWKYLE-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |