6-Methyl-8-(Methylsulfonyl)-1,3,4,6-Tetrahydro-2H-5,1-Benzothiazocine

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Properties Simple | Detailed

Formula C12H17NO2S2
IUPAC Name (6r)-6-methyl-8-methylsulfonyl-2,3,4,6-tetrahydro-1h-5,1-benzothiazocine
Molecular Mass 271.399 g·mol−1
Heat of Formation -284.4 ± 16.7 kJ·mol−1
Dipole Moment 7.68 ± 1.08 D
Volume 309.72 Å 3
Surface Area 266.23 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
InChIKey RYAGULUYOOGXOZ-SECBINFHSA-N
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