(10R)-10-[3-(4-Methylpiperazin-1-Yl)Propyl]-10-Oxido-2-(Trifluoromethyl)Phenothiazin-10-Ium
Properties
Property | Value |
---|---|
Formula | C21H25F3N3OS+ |
IUPAC Name | 10-hydroxy-10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazin-10-ium |
Molecular Mass | 424.503 g·mol−1 |
Heat of Formation | -372.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.14 ± 1.08 D |
Volume | 482.07 Å 3 |
Surface Area | 389.28 Å 2 |
HOMO Energy | -8.88 ± 0.55 eV |
LUMO Energy | -1.46 ± eV |
Point Group Symmetry | C1 |
InChIKey | BYMSLJZDEVLRLP-HHHXNRCGSA-N |
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Elements | C F H O N S |