6-Nitro-1-Benzothiophene 1,1-Dioxide

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Properties Simple | Detailed

Formula C8H5NO4S
IUPAC Name 6-nitrobenzothiophene 1,1-dioxide
Molecular Mass 211.195 g·mol−1
Heat of Formation -120.0 ± 16.7 kJ·mol−1
Dipole Moment 6.96 ± 1.08 D
Volume 208.93 Å 3
Surface Area 202.22 Å 2
HOMO Energy -10.75 ± 0.55 eV
LUMO Energy -2.16 ± eV
Point Group Symmetry Cs
Synonyms
  • 6-nitrobenzo[b]thiophene-1,1-dioxide
  • <i>stat</i> <i>t</i>hree <i>i</i>nhibitory compound
InChIKey ZRRGOUHITGRLBA-UHFFFAOYSA-N
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