Methyl (3R,9Br)-5-Oxo-9B-Phenyl-2,3,5,9B-Tetrahydro[1,3]Thiazolo[2,3-A]Isoindole-3-Carboxylate

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Formula C18H15NO3S
IUPAC Name methyl (3r,9br)-5-oxo-9b-phenyl-2,3-dihydrothiazolo[2,3-a]isoindole-3-carboxylate
Molecular Mass 325.382 g·mol−1
Heat of Formation -220.1 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 365.0 Å 3
Surface Area 311.16 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,9br)-5-keto-9b-phenyl-2,3-dihydrothiazolo[2,3-a]isoindole-3-carboxylic acid methyl ester
  • (3r,9br)-5-oxo-9b-phenyl-2,3-dihydrothiazolo[2,3-a]isoindole-3-carboxylic acid methyl ester
  • (r)-(+) 5(9bh)-oxo-9b-phenyl-2,3-dihydrothiazolo[2,3-a]isoindol-3-carboxylic acid methyl ester
  • bm +50.0934
  • bm5
  • methyl (3r,9br)-5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate
  • methyl (3r,9br)-5-oxo-9b-phenyl-2,3-dihydrothiazolo[2,3-a]isoindole-3-carboxylate
InChIKey JYIHODAXBBPFQF-MAUKXSAKSA-N
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