Formula |
C16H19N3O3S2 |
IUPAC Name |
(3s,6s)-3-(hydroxymethyl)-6-(1h-indol-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
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Synonyms
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- (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
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InChIKey |
NOPTYKZKJYUDRQ-HOTGVXAUSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
S
C
O
N
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