1-[(2-Amino-4-Chloro-5-Methylphenyl)Sulfonyl]-L-Proline

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Properties Simple | Detailed

Formula C12H15ClN2O4S
IUPAC Name (1s,2s)-1-(2-amino-4-chloro-5-methyl-phenyl)sulfonylpyrrolidine-2-carboxylic acid
Molecular Mass 318.776 g·mol−1
Heat of Formation -725.6 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 333.51 Å 3
Surface Area 288.59 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-(2-amino-4-chloro-5-methyl-phenyl)sulfonylproline
  • (2s)-1-(2-amino-4-chloro-5-methyl-phenyl)sulfonylpyrrolidine-2-carboxylic acid
  • (2s)-1-(2-amino-4-chloro-5-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid
  • (2s)-1-(2-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
  • 1-(2-amino-4-chloro-5-methylphenylsulfonyl)pyrrolidine-2-carboxylic acid
InChIKey OWYKAFABUYXQLE-JTQLQIEISA-N
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