10H-Phenothiazine, 10-(2-(1-Methyl-2-Piperidinyl)Ethyl)-2-(Methylthio)-, 5-Oxide

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Properties Simple | Detailed

Formula C21H26N2OS2
IUPAC Name (5r)-10-[2-[(1s,2r)-1-methyl-2-piperidyl]ethyl]-2-methylsulfanyl-phenothiazine 5-oxide
Molecular Mass 386.574 g·mol−1
Heat of Formation 43.2 ± 16.7 kJ·mol−1
Dipole Moment 7.29 ± 1.08 D
Volume 466.94 Å 3
Surface Area 369.91 Å 2
HOMO Energy -8.01 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
InChIKey XLDFFVBQCMLXIE-AKJBCIBTSA-N
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