N-(3-Azidophenyl)-2-Methyl-5,6-Dihydro-1,4-Oxathiine-3-Carboxamide

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Properties Simple | Detailed

Formula C12H12N4O2S
IUPAC Name n-(3-azidophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
Molecular Mass 276.314 g·mol−1
Heat of Formation 1971.8 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 277.83 Å 3
Surface Area 262.95 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -2.48 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-oxathiin-3-carboxamide, n-(3-azidophenyl)-5,6-dihydro-2-methyl-
  • 3'-azido-5,6-dihydro-2-methyl-1,4-oxathiin-3-carboxanilide
  • 3'-azidocarboxin
  • azidocarboxin
  • n-(3-azidophenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
CAS Number(s)
  • 77386-61-9
InChIKey HPOAUELJGSZCFZ-UHFFFAOYSA-N
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