Revospirone

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Properties Simple | Detailed

Formula C18H21N5O3S
IUPAC Name 1,1-dioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one
Molecular Mass 387.456 g·mol−1
Heat of Formation -182.4 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 441.07 Å 3
Surface Area 377.53 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1-diketo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one
  • 1,1-dioxo-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1,2-benzothiazol-3-one
  • 1,2-benzisothiazol-3(2h)-one, 2-(3-(4-(2-pyrimidinyl)-1-piperazinyl)propyl)-, 1,1-dioxide
  • 2-(3-(4-(2-pyrimidinyl)-1-piperazinyl)propyl)-1,2-benzisothiazolin-3-one 1,1-dioxide
  • bay vq 7813
  • revospirone [ban:inn]
CAS Number(s)
  • 95847-87-3
InChIKey MPLTZRTXQLNGED-UHFFFAOYSA-N
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