(6S)-4-Benzyl-6-(1-Methyl-2,2-Dioxido-1,3-Dihydro-2,1-Benzothiazol-5-Yl)-3-Morpholinone

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Properties Simple | Detailed

Formula C19H20N2O4S
IUPAC Name (6s)-4-benzyl-6-[(1s)-1-methyl-2,2-dioxo-3h-2,1-benzothiazol-5-yl]morpholin-3-one
Molecular Mass 372.438 g·mol−1
Heat of Formation -460.8 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 418.86 Å 3
Surface Area 366.23 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (6r)-4-benzyl-6-(1-methyl-2,2-dioxido-1,3-dihydro-2,1-benzisothiazol-5-yl)morpholin-3-one
  • (6s)-4-(benzyl)-6-(2,2-diketo-1-methyl-3h-2,1-benzothiazol-5-yl)morpholin-3-one
  • (6s)-6-(1-methyl-2,2-dioxo-3h-2,1-benzothiazol-5-yl)-4-(phenylmethyl)-3-morpholinone
  • (6s)-6-(1-methyl-2,2-dioxo-3h-2,1-benzothiazol-5-yl)-4-(phenylmethyl)morpholin-3-one
  • 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl) ethyl-4-(4'-ethoxy [1,1'-biphenyl]-4-yl)-4-oxobutanoic acid
  • cp8
InChIKey CIUMOGWIMXNXSQ-GOSISDBHSA-N
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