2-Amino-7,7-Dimethyl-5,6,7,8-Tetrahydro-4H-[1,3]Thiazolo[5,4-C]Azepin-4-One

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Properties Simple | Detailed

Formula C9H13N3OS
IUPAC Name 2-amino-7,7-dimethyl-6,8-dihydro-5h-thiazolo[5,4-c]azepin-4-one
Molecular Mass 211.284 g·mol−1
Heat of Formation -107.5 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 247.18 Å 3
Surface Area 223.13 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-thiazolo[5,4-c]azepin-4-one
  • 2-amino-7,7-dimethyl-6,8-dihydro-5h-[1,3]thiazolo[5,4-c]azepin-4-one
  • 2-amino-7,7-dimethyl-6,8-dihydro-5h-thiazolo[5,4-c]azepin-4-one
  • bas 01277591
  • bim-0028117.p001
  • cbmicro_027880
  • oprea1_141953
  • oprea1_152201
InChIKey KRPZAWRISMXVDQ-UHFFFAOYSA-N
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