3,3'-[1,3-Phenylenebis(1-Propyne-1,3-Diyloxy-1,2,5-Thiadiazole-4,3-Diyl)]Diquinuclidine

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Properties Simple | Detailed

Formula C30H32N6O2S2
IUPAC Name 3-[(3s)-quinuclidin-3-yl]-4-[3-[3-[3-[[4-[(3s)-quinuclidin-3-yl]-1,2,5-thiadiazol-3-yl]oxy]prop-1-ynyl]phenyl]prop-2-ynoxy]-1,2,5-thiadiazole
Molecular Mass 572.744 g·mol−1
Heat of Formation 667.6 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 667.65 Å 3
Surface Area 586.02 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
InChIKey TYLFZULSDOOCRC-CLJLJLNGSA-N
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