1-[(5-Iodo-1-Naphthyl)Sulfonyl]-1,4-Diazepane

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Properties Simple | Detailed

Formula C15H17IN2O2S
IUPAC Name (1s)-1-[(5-iodo-1-naphthyl)sulfonyl]-1,4-diazepane
Molecular Mass 416.277 g·mol−1
Heat of Formation -48.5 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 376.7 Å 3
Surface Area 309.86 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-iodonaphthalen-1-yl)sulfonyl-1,4-diazepane
  • 1-(5-iodonaphthalene-1-sulfonyl)-1h-hexahydro-1,4-diazepine hcl
  • 1h-1,4-diazepine, hexahydro-1-((5-iodo-1-naphthalenyl)sulfonyl)-
  • 1h-1,4-diazepine, hexahydro-1-[(5-iodo-1-naphthalenyl)sulfonyl]-
  • bcbcmap01_000168
  • bio1_000291
  • bio1_000780
  • bio1_001269
  • bio2_000465
  • bio2_000945
  • biomolki2_000007
  • biomolki_000042
  • cbiol_002005
  • ml 7
  • smp1_000196
CAS Number(s)
  • 110448-33-4
InChIKey GEHJIACZUFWBTK-UHFFFAOYSA-N
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