(2E)-1-(4-Morpholinyl)-3-[4-{[2-(3-Pyridinylmethoxy)Phenyl]Sulfanyl}-2,3-Bis(Trifluoromethyl)Phenyl]-2-Propen-1-One

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Properties Simple | Detailed

Formula C27H22F6N2O3S
IUPAC Name (e)-1-morpholino-3-[4-[2-(3-pyridylmethoxy)phenyl]sulfanyl-2,3-bis(trifluoromethyl)phenyl]prop-2-en-1-one
Molecular Mass 568.531 g·mol−1
Heat of Formation -1416.3 ± 16.7 kJ·mol−1
Dipole Moment 8.37 ± 1.08 D
Volume 597.65 Å 3
Surface Area 449.84 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
InChIKey ZRIKDHLPCRURPX-CSKARUKUSA-N
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