(3R,6S)-3-Hydroxy-3-[(3-Hydroxyphenyl)Methyl]-1,4-Dimethyl-6-[(4-Nitroindol-1-Ium-3-Yl)Methyl]Piperazine-2,5-Dione

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Properties Simple | Detailed

Formula C22H22N4O6
IUPAC Name (3r,6s)-3-hydroxy-3-[(3-hydroxyphenyl)methyl]-1,4-dimethyl-6-[(4-nitroindol-1-ium-3-yl)methyl]piperazine-2,5-dione
Molecular Mass 438.433 g·mol−1
Heat of Formation -517.6 ± 16.7 kJ·mol−1
Dipole Moment 7.51 ± 1.08 D
Volume 485.32 Å 3
Surface Area 374.1 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
InChIKey QJVWAYGFUJUWAY-PGRDOPGGSA-N
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