2-Amino-4-Fluoro-5-[(1-Methyl-1H-Imidazol-2-Yl)Sulfanyl]-N-(1,3-Thiazol-2-Yl)Benzamide

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Properties Simple | Detailed

Formula C14H12FN5OS2
IUPAC Name 2-amino-4-fluoro-5-(1-methylimidazol-1-ium-2-ylium-2-yl)sulfanyl-n-(4h-thiazol-1-ium-4-ylium-2-yl)benzamide
Molecular Mass 349.406 g·mol−1
Heat of Formation 48.8 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 376.33 Å 3
Surface Area 341.25 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-4-fluoro-5-(1-methylimidazol-2-yl)sulfanyl-n-(1,3-thiazol-2-yl)benzamide
  • 2-amino-4-fluoro-5-(1-methylimidazol-2-yl)sulfanyl-n-thiazol-2-yl-benzamide
  • 2-amino-4-fluoro-5-[(1-methyl-2-imidazolyl)thio]-n-(2-thiazolyl)benzamide
  • 2-amino-4-fluoro-5-[(1-methylimidazol-2-yl)thio]-n-thiazol-2-yl-benzamide
  • mrk
InChIKey YUCYMQBDBXVNCE-UHFFFAOYSA-N
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