Aurantiomide A

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Properties Simple | Detailed

Formula C19H24N4O4
IUPAC Name 3-[(1r,4s)-1-isobutyl-1-methoxy-3,6-dioxo-2,4-dihydropyrazino[2,1-b]quinazolin-4-yl]propanamide
Molecular Mass 372.418 g·mol−1
Heat of Formation -627.4 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 443.0 Å 3
Surface Area 366.06 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(1r,4s)-1-isobutyl-1-methoxy-3,6-dioxo-2,4-dihydropyrazino[6,1-b]quinazolin-4-yl]propanamide
  • 3-[(1r,4s)-1-isobutyl-3,6-diketo-1-methoxy-2,4-dihydropyrazino[6,1-b]quinazolin-4-yl]propionamide
  • 3-[(1r,4s)-1-methoxy-1-(2-methylpropyl)-3,6-dioxo-2,4-dihydropyrazino[6,1-b]quinazolin-4-yl]propanamide
InChIKey YQGOVBHFRUCFDP-IFXJQAMLSA-N
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