5-({[(1S,2S,3S)-2-Hydroxy-3-Phenoxycyclopentyl]Amino}Methyl)-2-Methyl-6,7-Dihydro-1-Benzothiophen-4(5H)-One

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Formula C21H25NO3S
IUPAC Name (5r)-5-[[[(1r,2r,3r)-2-hydroxy-3-phenoxy-cyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5h-benzothiophen-4-one
Molecular Mass 371.493 g·mol−1
Heat of Formation -384.2 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 443.78 Å 3
Surface Area 390.09 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey IMKMRGOTDDUQHF-HAXDFEGKSA-N
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