4-[(2-Chlorocyclohexyl)Sulfanyl]-1H-Isoindole-1,3(2H)-Dione

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Properties Simple | Detailed

Formula C14H14ClNO2S
IUPAC Name 4-[(1r,2s)-2-chlorocyclohexyl]sulfanylisoindoline-1,3-dione
Molecular Mass 295.784 g·mol−1
Heat of Formation -326.8 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 320.04 Å 3
Surface Area 266.13 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 1.66 ± eV
Point Group Symmetry C1
InChIKey KLRGNKUMDFZCFE-VHSXEESVSA-N
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