4-(5-(1,3-Butadiynyl)-2-Thienyl)-2-Chloro-3-Butyn-1-Ol Acetate

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Properties Simple | Detailed

Formula C14H9ClO2S
IUPAC Name [(2s)-4-(5-buta-1,3-diynyl-2-thienyl)-2-chloro-but-3-ynyl] acetate
Molecular Mass 276.738 g·mol−1
Heat of Formation 345.0 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 321.54 Å 3
Surface Area 305.57 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 1.55 ± eV
Point Group Symmetry C1
InChIKey NSNKOTXFJDNDDD-LBPRGKRZSA-N
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Elements H S C O Cl