1-(1-Oxido-4-Thiomorpholinyl)-3-(1-Piperazinyl)Isoquinoline

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Properties Simple | Detailed

Formula C17H22N4OS
IUPAC Name 4-(3-piperazin-1-yl-1-isoquinolyl)-1,4-thiazinane 1-oxide
Molecular Mass 330.448 g·mol−1
Heat of Formation 144.9 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 387.34 Å 3
Surface Area 337.9 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(1-oxido-4-thiomorpholino)-3-(1-piperazinyl)isoquinoline
  • 4-(3-piperazin-1-ylisoquinolin-1-yl)-1,4-thiazinane 1-oxide
  • 4-[3-(1-piperazinyl)-1-isoquinolyl]-1,4-thiazinane 1-oxide
  • isoquinoline, 3-(1-piperazinyl)-1-(4-thiomorpholinyl)-, s-oxide
  • s-h-966-bs
  • sh 966 bs
CAS Number(s)
  • 58138-24-2
InChIKey DMQFFNUCAGFFGD-UHFFFAOYSA-N
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