(2S)-4-(4-Fluorobenzyl)-N-(3-Sulfanylpropyl)-2-Piperazinecarboxamide

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Properties Simple | Detailed

Formula C15H22FN3OS
IUPAC Name (2s,4r)-4-[(4-fluorophenyl)methyl]-n-(3-sulfanylpropyl)piperazine-2-carboxamide
Molecular Mass 311.418 g·mol−1
Heat of Formation -250.2 ± 16.7 kJ·mol−1
Dipole Moment 3.57 ± 1.08 D
Volume 384.66 Å 3
Surface Area 346.65 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
InChIKey OYTFYWWLBPDTNS-AWEZNQCLSA-N
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