(3S)-3-{4-[(3-Phenyl-2-Propyn-1-Yl)Oxy]-1,2,5-Thiadiazol-3-Yl}Quinuclidine

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Properties Simple | Detailed

Formula C18H19N3OS
IUPAC Name 3-(3-phenylprop-2-ynoxy)-4-[(3s)-quinuclidin-3-yl]-1,2,5-thiadiazole
Molecular Mass 325.428 g·mol−1
Heat of Formation 372.2 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 390.85 Å 3
Surface Area 343.43 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[4-(3-phenylprop-2-ynoxy)-1,2,5-thiadiazol-3-yl]quinuclidine
InChIKey SNSMIIQEKVYNOH-MRXNPFEDSA-N
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