(1S,7S,8R)-4-Amino-10-[5-(6-Bromo-1H-Indol-3-Yl)-6-Oxo-1,6-Dihydro-2-Pyrazinyl]-1-Hydroxy-7-Methyl-3,5,12-Triazatetracyclo[6.6.1.0~2,6~.0~9,13~]Pentadeca-2(6),3,10-Trien-14-One

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Formula C25H22BrN7O3+
IUPAC Name (1s,7s,8r)-4-amino-10-[5-(6-bromo-1h-indol-3-yl)-6-oxo-1,6-dihydro-2-pyrazinyl]-1-hydroxy-7-methyl-3,5,12-triazatetracyclo[6.6.1.0 2,6 .0 9,13 ]pentadeca-2(6),3,10-trien-14-one
Molecular Mass 548.391 g·mol−1
Heat of Formation 32.0 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 551.45 Å 3
Surface Area 453.77 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
InChIKey IIJUQWOGZFHFTN-SURIHJFXSA-N
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Elements H C O Br N