10-[2-(1-Methyl-2-Piperidinyl)Ethyl]-2-(Methylsulfonyl)-10H-Phenothiazine 5-Oxide

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Formula C21H26N2O3S2
IUPAC Name (5r)-10-[2-[(1s,2r)-1-methyl-2-piperidyl]ethyl]-2-methylsulfonyl-phenothiazine 5-oxide
Molecular Mass 418.573 g·mol−1
Heat of Formation -286.8 ± 16.7 kJ·mol−1
Dipole Moment 8.88 ± 1.08 D
Volume 484.34 Å 3
Surface Area 386.87 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey XUSQFEHCLFPAQN-CHAGWJKLSA-N
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