N-[(2S,3R)-3-Hydroxy-1-(Hydroxyamino)-1-Oxo-2-Butanyl]-4-(4-Phenyl-1,3-Butadiyn-1-Yl)Benzamide

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Properties Simple | Detailed

Formula C21H18N2O4
IUPAC Name n-[(1s,2r)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diynyl)benzamide
Molecular Mass 362.379 g·mol−1
Heat of Formation 34.8 ± 16.7 kJ·mol−1
Dipole Moment 1.77 ± 1.08 D
Volume 428.87 Å 3
Surface Area 404.7 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s,2r)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diynyl)benzamide
  • n-[(1s,2r)-2-hydroxy-1-[(hydroxyamino)-oxomethyl]propyl]-4-(4-phenylbuta-1,3-diynyl)benzamide
  • n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxo-butan-2-yl]-4-(4-phenylbuta-1,3-diynyl)benzamide
  • n-[(2s,3r)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylbuta-1,3-diynyl)benzamide
InChIKey VUYMSCCEGRLBAF-BEFAXECRSA-N
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