Solabegron

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Properties Simple | Detailed

Formula C23H23ClN2O3
IUPAC Name 3-[3-[2-[[(2r)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]ethylamino]phenyl]benzoic acid
Molecular Mass 410.893 g·mol−1
Heat of Formation -305.4 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 479.57 Å 3
Surface Area 443.84 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[3-[2-[[(2r)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]ethylamino]phenyl]benzoic acid
  • 3-[3-[2-[[(2r)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoic acid
InChIKey LLDXOPKUNJTIRF-QFIPXVFZSA-N
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Elements H C N O Cl