1-(4-Hydroxy-3-Methylsulfinylphenyl)-6-(4-Methoxyphenyl)-4-Methyl-3-Aza-1-Hexanol

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Formula C20H27NO4S
IUPAC Name 4-[(1s)-1-hydroxy-2-[[(1s)-3-(4-methoxyphenyl)-1-methyl-propyl]amino]ethyl]-2-[(s)-methylsulfinyl]phenol
Molecular Mass 377.498 g·mol−1
Heat of Formation -540.4 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 467.64 Å 3
Surface Area 408.22 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
InChIKey PAQZZCOZHPGCFW-JIEZPPNFSA-N
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