4-Isothiocyanato-N-[(3S)-2-Oxotetrahydro-3-Furanyl]Benzamide

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Properties Simple | Detailed

Formula C12H10N2O3S
IUPAC Name 4-isothiocyanato-n-[(3s)-2-oxotetrahydrofuran-3-yl]benzamide
Molecular Mass 262.284 g·mol−1
Heat of Formation -237.6 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 298.2 Å 3
Surface Area 282.56 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
Synonyms
  • 4-isothiocyanato-n-[(3s)-2-ketotetrahydrofuran-3-yl]benzamide
  • 4-isothiocyanato-n-[(3s)-2-oxo-3-tetrahydrofuranyl]benzamide
  • 4-isothiocyanato-n-[(3s)-2-oxotetrahydrofuran-3-yl]benzamide
InChIKey WWUPAVIAPDIGCZ-JTQLQIEISA-N
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