2-[2-Ethoxy-5-(4-Ethylpiperazin-1-Yl)Sulfonyl-Phenyl]-5-Methyl-7-Propyl-Imidazo[5,1-F][1,2,4]Triazine-1,8-Diium-4-One
Properties
Property | Value |
---|---|
Formula | C23H39N6O4S+ |
IUPAC Name | 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-phenyl]-5-methyl-7-propyl-imidazo[5,1-f][1,2,4]triazine-1,8-diium-4-one |
Molecular Mass | 495.659 g·mol−1 |
Heat of Formation | -320.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.93 ± 1.08 D |
Volume | 575.48 Å 3 |
Surface Area | 490.28 Å 2 |
HOMO Energy | -8.86 ± 0.55 eV |
LUMO Energy | 1.98 ± eV |
Point Group Symmetry | C1 |
InChIKey | RMBAZYAVXFVONQ-UHFFFAOYSA-O |
QR Code | Generate QR Code |
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Elements | H C S O N |