Thiarubrin D

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Properties Simple | Detailed

Formula C13H8OS2
IUPAC Name (2r)-2-[4-(6-prop-1-ynyldithiin-3-yl)buta-1,3-diynyl]oxirane
Molecular Mass 244.332 g·mol−1
Heat of Formation 754.8 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 258.82 Å 3
Surface Area 246.85 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
InChIKey UNABNUQQYPYJEQ-LLVKDONJSA-N
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