N-(5,6-Dihydro[1,3]Thiazolo[2,3-C][1,2,4]Triazol-3-Yl)-4-(2-Methyl-2-Propanyl)Benzamide

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Formula C15H18N4OS
IUPAC Name 4-tert-butyl-n-(6-thia-4-aza-1-azonia-3-azanidabicyclo[3.3.0]octa-1,4-dien-2-yl)benzamide
Molecular Mass 302.395 g·mol−1
Heat of Formation 113.1 ± 16.7 kJ·mol−1
Dipole Moment 7.93 ± 1.08 D
Volume 356.57 Å 3
Surface Area 320.51 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 4-tert-butyl-n-(5,6-dihydro-[1,3]thiazolo[3,2-d][1,2,4]triazol-3-yl)benzamide
  • 4-tert-butyl-n-(5,6-dihydrothiazolo[3,2-d][1,2,4]triazol-3-yl)benzamide
  • g844-0197
InChIKey VNFVQSRTHCEODA-UHFFFAOYSA-N
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