Aurantiomide B

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Properties Simple | Detailed

Formula C18H22N4O4+
IUPAC Name 3-[(1r,4s)-1-hydroxy-1-isobutyl-3,6-dioxo-2,4-dihydropyrazino[2,1-b]quinazolin-4-yl]propanamide
Molecular Mass 358.392 g·mol−1
Heat of Formation -656.1 ± 16.7 kJ·mol−1
Dipole Moment 1.67 ± 1.08 D
Volume 418.06 Å 3
Surface Area 360.18 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(1r,4s)-1-hydroxy-1-(2-methylpropyl)-3,6-dioxo-2,4-dihydropyrazino[6,1-b]quinazolin-4-yl]propanamide
  • 3-[(1r,4s)-1-hydroxy-1-isobutyl-3,6-diketo-2,4-dihydropyrazino[6,1-b]quinazolin-4-yl]propionamide
  • 3-[(1r,4s)-1-hydroxy-1-isobutyl-3,6-dioxo-2,4-dihydropyrazino[6,1-b]quinazolin-4-yl]propanamide
InChIKey VZHFOIYILDANRZ-SCLBCKFNSA-N
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