N-{(1S)-2-{4-[(5S)-1,1-Dioxido-3-Oxo-1,2-Thiazolidin-5-Yl]Phenyl}-1-[5-(Trifluoromethyl)-1H-Benzimidazol-2-Yl]Ethyl}-2,2,2-Trifluoroacetamide

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Properties Simple | Detailed

Formula C21H16F6N4O4S
IUPAC Name 2,2,2-trifluoro-n-[(1s)-1-[5-(trifluoromethyl)-4h-benzimidazol-1-ium-4-id-2-yl]-2-[4-[(5s)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]acetamide
Molecular Mass 534.432 g·mol−1
Heat of Formation -1711.8 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 531.48 Å 3
Surface Area 452.32 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2,2-trifluoro-n-[(1s)-1-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]-2-[4-[(5s)-1,1,3-triketo-1,2-thiazolidin-5-yl]phenyl]ethyl]acetamide
  • 2,2,2-trifluoro-n-[(1s)-1-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]-2-[4-[(5s)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]acetamide
  • 2,2,2-trifluoro-n-[(1s)-1-[6-(trifluoromethyl)-1h-benzimidazol-2-yl]-2-[4-[(5s)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]ethanamide
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InChIKey ZQCICORKZRLKMU-HOTGVXAUSA-N
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