(4S)-2-(4-Bromo-2-Fluorobenzyl)-6-Fluoro-1H,2'H,5'H-Spiro[Isoquinoline-4,3'-Pyrrolidine]-1,2',3,5'(2H)-Tetrone

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Properties Simple | Detailed

Formula C19H11BrF2N2O4
IUPAC Name (4s)-2-[(4-bromo-2-fluoro-phenyl)methyl]-6-fluoro-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone
Molecular Mass 449.202 g·mol−1
Heat of Formation -835.0 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 419.15 Å 3
Surface Area 352.49 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-2-(4-bromo-2-fluoro-benzyl)-6-fluoro-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-diquinone
  • (4s)-2-[(4-bromo-2-fluoro-phenyl)methyl]-6-fluoro-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone
  • (4s)-2-[(4-bromo-2-fluorophenyl)methyl]-6-fluorospiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone
InChIKey BMHZAHGTGIZZCT-IBGZPJMESA-N
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Elements C F H O N Br