10-{2-[(2S)-1-Methyl-2-Piperidinyl]Ethyl}-2-(Methylsulfanyl)-10H-Phenothiazine

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Properties Simple | Detailed

Formula C21H26N2S2
IUPAC Name 10-[2-[(1s,2s)-1-methyl-2-piperidyl]ethyl]-2-methylsulfanyl-phenothiazine
Molecular Mass 370.575 g·mol−1
Heat of Formation 169.6 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 450.91 Å 3
Surface Area 362.91 Å 2
HOMO Energy -7.58 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
InChIKey KLBQZWRITKRQQV-INIZCTEOSA-N
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Elements H S C N