(4S)-5-Acetyl-2-Amino-6-Methyl-4-(3-Nitrophenyl)-4H-Pyran-3-Carbonitrile

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Properties Simple | Detailed

Formula C15H13N3O4
IUPAC Name (4s)-5-acetyl-2-amino-6-methyl-4-(3-nitrophenyl)-4h-pyran-3-carbonitrile
Molecular Mass 299.281 g·mol−1
Heat of Formation -93.3 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 339.92 Å 3
Surface Area 295.92 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-2-amino-5-ethanoyl-6-methyl-4-(3-nitrophenyl)-4h-pyran-3-carbonitrile
InChIKey NFYZZXXTHXRSJI-AWEZNQCLSA-N
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