Reparixin

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Properties Simple | Detailed

Formula C14H21NO3S
IUPAC Name (2r)-2-(4-isobutylphenyl)-n-methylsulfonyl-propanamide
Molecular Mass 283.386 g·mol−1
Heat of Formation -607.3 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 350.8 Å 3
Surface Area 308.21 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(4-isobutylphenyl)-n-mesyl-propionamide
  • (2r)-2-(4-isobutylphenyl)-n-methylsulfonyl-propanamide
  • (2r)-2-(4-isobutylphenyl)-n-methylsulfonylpropanamide
  • (2r)-2-[4-(2-methylpropyl)phenyl]-n-methylsulfonyl-propanamide
  • (2r)-2-[4-(2-methylpropyl)phenyl]-n-methylsulfonylpropanamide
InChIKey KQDRVXQXKZXMHP-LLVKDONJSA-N
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