1-(1-Hydroxy-5-Isoquinolinesulfonyl)Homopiperazine

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Properties Simple | Detailed

Formula C14H17N3O3S
IUPAC Name 5-[[(1s)-1,4-diazepan-1-yl]sulfonyl]isoquinolin-1-one
Molecular Mass 307.368 g·mol−1
Heat of Formation -317.1 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 339.06 Å 3
Surface Area 289.62 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,4-diazepine, hexahydro-1-((1,2-dihydro-1-oxo-5-isoquinolinyl)sulfonyl)-
  • 5-(1,4-diazepan-1-ylsulfonyl)-2h-isoquinolin-1-one
  • 5-(1,4-diazepan-1-ylsulfonyl)isocarbostyril
  • ha 1100
  • hexahydro-1-((1,2-dihydro-1-oxo-5-isoquinolinyl)sulfonyl)-1h-1,4-diazepine
  • smp2_000084
CAS Number(s)
  • 105628-72-6
InChIKey ZAVGJDAFCZAWSZ-UHFFFAOYSA-N
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