1-[7-(Dimethylsulfamoyl)-2,1,3-Benzoxadiazol-4-Yl]-D-Prolyl Chloride

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Properties Simple | Detailed

Formula C13H15ClN4O4S
IUPAC Name (2r)-1-[4-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]pyrrolidine-2-carbonyl chloride
Molecular Mass 358.801 g·mol−1
Heat of Formation -203.8 ± 16.7 kJ·mol−1
Dipole Moment 10.76 ± 1.08 D
Volume 373.92 Å 3
Surface Area 319.04 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.83 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-1-[4-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]-2-pyrrolidinecarbonyl chloride
  • (2r)-1-[7-(dimethylsulfamoyl)benzofurazan-4-yl]pyrrolidine-2-carbonyl chloride
  • 4-(n,n-dimethylaminosulfonyl)-7-(2-chloroformylpyrrolidin-1-yl)-2,1,3-benzoxadiazole
  • r(+)-dbd-pro-cocl
  • s(-)-dbd-pro-cocl
CAS Number(s)
  • 150993-62-7
InChIKey ZPBKQTOHYMFDLD-SECBINFHSA-N
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