(3S,6S)-3-(Hydroxymethyl)-6-(1H-Indol-3-Ylmethyl)-3,6-Bis(Methylsulfanyl)-2,5-Piperazinedione

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Formula C16H19N3O3S2
IUPAC Name (3s,6s)-3-(hydroxymethyl)-6-(2h-indol-1-ium-2-ylium-3-ylmethyl)-3,6-bis(methylsulfanyl)piperazine-2,5-dione
Molecular Mass 365.470 g·mol−1
Heat of Formation -352.2 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 412.32 Å 3
Surface Area 323.52 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s)-3-(1h-indol-3-ylmethyl)-6-methylol-3,6-bis(methylthio)piperazine-2,5-quinone
  • (3s,6s)-3-(hydroxymethyl)-6-(1h-indol-3-ylmethyl)-3,6-bis(methylthio)piperazine-2,5-dione
InChIKey NOPTYKZKJYUDRQ-HOTGVXAUSA-N
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