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

Molecule SVG Image

Properties Simple | Detailed

Formula C17H21N3O3S2
IUPAC Name (3s,6s)-6-(hydroxymethyl)-3-(1h-indol-3-ylmethyl)-1-methyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
Molecular Mass 379.497 g·mol−1
Heat of Formation -347.5 ± 16.7 kJ·mol−1
Dipole Moment 2.45 ± 1.08 D
Volume 430.63 Å 3
Surface Area 329.64 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s)-3-(1h-indol-3-ylmethyl)-1-methyl-6-methylol-3,6-bis(methylthio)piperazine-2,5-quinone
  • (3s,6s)-6-(hydroxymethyl)-3-(1h-indol-3-ylmethyl)-1-methyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
  • (3s,6s)-6-(hydroxymethyl)-3-(1h-indol-3-ylmethyl)-1-methyl-3,6-bis(methylthio)piperazine-2,5-dione
InChIKey CCPHAMSKHBDMDS-IRXDYDNUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N