2-Chloro-10H-Phenothiazine-10-Propanamine 5,5-Dioxide

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Properties Simple | Detailed

Formula C15H15ClN2O2S
IUPAC Name 3-(2-chloro-5,5-dioxo-phenothiazin-10-yl)propan-1-amine
Molecular Mass 322.810 g·mol−1
Heat of Formation -133.4 ± 16.7 kJ·mol−1
Dipole Moment 6.11 ± 1.08 D
Volume 347.45 Å 3
Surface Area 308.27 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-chloro-5,5-diketo-phenothiazin-10-yl)propylamine
  • 3-(2-chloro-5,5-dioxo-10-phenothiazinyl)propan-1-amine
  • 3-(2-chloro-5,5-dioxophenothiazin-10-yl)propan-1-amine
  • cl-ppa-so2
  • didemethylchlorpromazine sulfone
  • didesmethylchlorpromazine sulfone
CAS Number(s)
  • 67291-47-8
InChIKey NEMBKAPGIKWYCC-UHFFFAOYSA-N
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