(2S)-1-(10H-Phenothiazin-10-Yl)-2-(5H-[1,2,4]Triazino[5,6-B]Indol-3-Ylsulfanyl)-1-Butanone

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Formula C25H19N5OS2
IUPAC Name (2s)-1-phenothiazin-10-yl-2-([1,2,4]triazino[5,6-b]indol-5-ium-3-ylsulfanyl)butan-1-one
Molecular Mass 469.581 g·mol−1
Heat of Formation 456.3 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 521.88 Å 3
Surface Area 384.27 Å 2
HOMO Energy -7.89 ± 0.55 eV
LUMO Energy 0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-(10-phenothiazinyl)-2-(5h-[1,2,4]triazino[5,6-b]indol-3-ylthio)butan-1-one
  • (2s)-1-phenothiazin-10-yl-2-(5h-[1,2,4]triazino[5,6-b]indol-3-ylthio)butan-1-one
InChIKey VHUOXERIKQWIJE-IBGZPJMESA-N
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