10-[2-[(1S,2S)-1-Methyl-1-Oxido-Piperidin-1-Ium-2-Yl]Ethyl]-2-Methylsulfanyl-Phenothiazine
Properties
Property | Value |
---|---|
Formula | C21H27N2OS2+ |
IUPAC Name | 10-[2-[(1s,2s)-1-methyl-1-oxido-piperidin-1-ium-2-yl]ethyl]-2-methylsulfanyl-phenothiazine |
Molecular Mass | 387.582 g·mol−1 |
Heat of Formation | 171.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.33 ± 1.08 D |
Volume | 462.51 Å 3 |
Surface Area | 378.75 Å 2 |
HOMO Energy | -7.71 ± 0.55 eV |
LUMO Energy | 2.54 ± eV |
Point Group Symmetry | C1 |
InChIKey | WBLVSWTTXFHHHS-HJPURHCSSA-N |
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Elements | H S C O N |