2-(3-Chloro-4-Fluorobenzyl)-6,7-Dihydroxy-N,N-Dimethyl-1-Oxo-4-Isoindolinesulfonamide

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Properties Simple | Detailed

Formula C17H16ClFN2O5S
IUPAC Name 2-[(3-chloro-4-fluoro-phenyl)methyl]-6,7-dihydroxy-n,n-dimethyl-1-oxo-isoindoline-4-sulfonamide
Molecular Mass 414.836 g·mol−1
Heat of Formation -901.0 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 436.49 Å 3
Surface Area 346.65 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
InChIKey AUHJAAAKTCEGOJ-UHFFFAOYSA-N
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Elements C F H Cl O N S