5-[2-Ethoxy-5-[4-(2-Hydroxyethyl)Piperazin-1-Yl]Sulfonyl-Phenyl]-1-Methyl-3-Propyl-4H-Pyrazolo[4,3-D]Pyrimidine-1,6-Diium-3A-Ylium-7-One
Properties
Property | Value |
---|---|
Formula | C23H39N6O5S+ |
IUPAC Name | (3s,3as,5r,7as)-5-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-phenyl]-1-methyl-3-propyl-3,3a,4,5,6,7a-hexahydro-2h-pyrazolo[4,3-d]pyrimidin-4-ium-7-one |
Molecular Mass | 511.658 g·mol−1 |
Heat of Formation | -515.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.74 ± 1.08 D |
Volume | 586.49 Å 3 |
Surface Area | 487.72 Å 2 |
HOMO Energy | -8.82 ± 0.55 eV |
LUMO Energy | 1.94 ± eV |
Point Group Symmetry | C1 |
InChIKey | NBOTZYRCHNRBDG-UHFFFAOYSA-O |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |