2'-(5-Chloro-2-Fluorophenyl)-7'-Methoxyspiro[1,3-Oxazole-4,9'-Xanthen]-2-Amine

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Properties Simple | Detailed

Formula C22H16ClFN2O3
IUPAC Name (4s)-2'-(5-chloro-2-fluoro-phenyl)-7'-methoxy-spiro[5h-oxazole-4,9'-xanthene]-2-amine
Molecular Mass 410.825 g·mol−1
Heat of Formation -297.0 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 442.31 Å 3
Surface Area 387.21 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
InChIKey WIRKEQRUHLXVOQ-QFIPXVFZSA-N
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