2-Sulfanyl-N-[(7S)-1,2,3,10-Tetramethoxy-9-Oxo-5,6,7,9-Tetrahydrobenzo[A]Heptalen-7-Yl]Acetamide

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Properties Simple | Detailed

Formula C22H25NO6S
IUPAC Name 2-sulfanyl-n-[(7s)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]acetamide
Molecular Mass 431.502 g·mol−1
Heat of Formation -693.2 ± 16.7 kJ·mol−1
Dipole Moment 1.33 ± 1.08 D
Volume 500.36 Å 3
Surface Area 414.99 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • 2-mercapto-n-[(7s)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-7-yl]acetamide
  • 2-mercapto-n-[1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl]acetamide
  • 2-sulfanyl-n-[(7s)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-7-yl]acetamide
  • 2-sulfanyl-n-[(7s)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-7-yl]ethanamide
  • cn2
  • n-[(7s)-9-keto-1,2,3,10-tetramethoxy-6,7-dihydro-5h-benzo[d]heptalen-7-yl]-2-mercapto-acetamide
InChIKey TYDIWMTWTXFWSY-HNNXBMFYSA-N
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