9-[(4-Fluorophenyl)Amino]-5-(4-Hydroxy-3,5-Dimethoxyphenyl)-5,8,8A,9-Tetrahydrofuro[3',4':6,7]Naphtho[2,3-D][1,3]Dioxol-6(5Ah)-One

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Formula C27H24FNO7
IUPAC Name 4-[(5s,5ar,8ar,9s)-5-[(4-fluorobenzene-3,5-diid-1-yl)amino]-8-oxo-5a,6,8a,9-tetrahydro-5h-isobenzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-di(methoxy)phenolate
Molecular Mass 493.480 g·mol−1
Heat of Formation -998.2 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 542.41 Å 3
Surface Area 422.02 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
InChIKey OWZJVOYADMZDSO-XELASAAXSA-N
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