2-[(1Z)-5,6-Diethoxy-7-Fluoro-1-Imino-1,3-Dihydro-2H-Isoindol-2-Yl]-1-[4-Methoxy-3-(2-Methyl-2-Propanyl)-5-(4-Morpholinyl)Phenyl]Ethanone

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Properties Simple | Detailed

Formula C29H38FN3O5
IUPAC Name 1-(3-tert-butyl-4-methoxy-5-morpholino-phenyl)-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone
Molecular Mass 527.628 g·mol−1
Heat of Formation -765.5 ± 16.7 kJ·mol−1
Dipole Moment 7.06 ± 1.08 D
Volume 642.39 Å 3
Surface Area 532.34 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
InChIKey QWKAUGRRIXBIPO-PNOGMODKSA-N
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Elements H C N O F