[(4S)-6,7-Dibromo-1-Oxo-1,2,3,4-Tetrahydropyrrolo[1,2-A]Pyrazin-4-Yl]Acetic Acid

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Formula C9H8Br2N2O3
IUPAC Name 2-[(4s)-6,7-dibromo-1-oxo-3,4-dihydro-2h-pyrrolo[1,2-a]pyrazin-4-yl]acetic acid
Molecular Mass 351.979 g·mol−1
Heat of Formation -385.3 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 277.97 Å 3
Surface Area 251.39 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(4s)-6,7-dibromo-1-keto-3,4-dihydro-2h-pyrrolo[5,1-f]pyrazin-4-yl]acetic acid
  • 2-[(4s)-6,7-dibromo-1-oxo-3,4-dihydro-2h-pyrrolo[5,1-f]pyrazin-4-yl]acetic acid
  • 2-[(4s)-6,7-dibromo-1-oxo-3,4-dihydro-2h-pyrrolo[5,1-f]pyrazin-4-yl]ethanoic acid
InChIKey DRDCMECERMJRNR-BYPYZUCNSA-N
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Elements H C O Br N