N-(4-Oxo-5,6,7,8-Tetrahydro-4H-[1,3]Thiazolo[5,4-C]Azepin-2-Yl)Acetamide

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Properties Simple | Detailed

Formula C9H11N3O2S
IUPAC Name n-(4-oxo-5,6,7,8-tetrahydrothiazolo[5,4-c]azepin-2-yl)acetamide
Molecular Mass 225.268 g·mol−1
Heat of Formation -251.3 ± 16.7 kJ·mol−1
Dipole Moment 6.30 ± 1.08 D
Volume 247.68 Å 3
Surface Area 234.68 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
Synonyms
  • bas 00926987
  • chemdiv1_000178
  • n-(4-keto-5,6,7,8-tetrahydrothiazolo[5,4-c]azepin-2-yl)acetamide
  • n-(4-oxo-5,6,7,8-tetrahydro-4h-thiazolo[5,4-c]azepin-2-yl)-acetamide
  • n-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
  • n-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)ethanamide
  • n-(4-oxo-5,6,7,8-tetrahydrothiazolo[5,4-c]azepin-2-yl)acetamide
  • oprea1_552705
  • oprea1_624915
  • sdccgmls-0064854.p001
InChIKey OYHOEDBNAJPFKK-UHFFFAOYSA-N
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