(9Br)-9B-(3-Methylphenyl)-2,3-Dihydro[1,3]Thiazolo[2,3-A]Isoindol-5(9Bh)-One

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Properties Simple | Detailed

Formula C17H15NOS
IUPAC Name (9br)-9b-(m-tolyl)-2,3-dihydrothiazolo[2,3-a]isoindol-5-one
Molecular Mass 281.372 g·mol−1
Heat of Formation 61.8 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 328.64 Å 3
Surface Area 286.32 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(r)-9b-(3-methylphenyl-2,3-dihydrothiazolo[2,3-a]isoindol-5(9bh)-one
  • (9br)-9b-(3-methylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-b]isoindol-5-one
  • (9br)-9b-(3-methylphenyl)-2,3-dihydrothiazolo[3,2-b]isoindol-5-one
  • (r)-(+)9b-(3-methyl)phenyl-2,3-dihydrothiazolo[2,3-a]isoindol-5(9bh)-one
  • bm+21.1326
  • thiazoloisoindol-5-one deriv. 13r
InChIKey FQVDJZWFSZSGGA-QGZVFWFLSA-N
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