(1S,4R)-4-{[(2S,9S,9As)-9-Hydroxy-2-Methyl-3-Oxo-2,3,9,9A-Tetrahydro-1H-Imidazo[1,2-A]Indol-9-Yl]Methyl}-1-Methyl-2H-Pyrazino[2,1-B]Quinazoline-3,6(1H,4H)-Dione

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Properties Simple | Detailed

Formula C24H23N5O4+
IUPAC Name (1s,4r)-4-[[(2s,3as,4s)-4-hydroxy-2-methyl-1-oxo-3,3a-dihydro-2h-imidazo[1,2-a]indol-4-yl]methyl]-1-methyl-2,4-dihydro-1h-pyrazino[5,4-b]quinazoline-3,6-dione
Molecular Mass 445.471 g·mol−1
Heat of Formation -391.0 ± 16.7 kJ·mol−1
Dipole Moment 6.80 ± 1.08 D
Volume 496.21 Å 3
Surface Area 407.71 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4r)-4-[[(2s,3as,4s)-4-hydroxy-1-keto-2-methyl-3,3a-dihydro-2h-imidazo[1,2-a]indol-4-yl]methyl]-1-methyl-2,4-dihydro-1h-pyrazino[5,4-b]quinazoline-3,6-quinone
InChIKey DQQCCKFZJNINST-VCPZKGNQSA-N
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