3-(1-Naphthyl)-N-[3,3,3-Trifluoro-2-(Sulfanylmethyl)Propanoyl]Alanine

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Formula C17H16F3NO3S
IUPAC Name (2s)-3-(1-naphthyl)-2-[[(2s)-3,3,3-trifluoro-2-(sulfanylmethyl)propanoyl]amino]propanoic acid
Molecular Mass 371.374 g·mol−1
Heat of Formation -1101.9 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 408.23 Å 3
Surface Area 312.92 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
InChIKey VHNKNFNSIIVFBL-KBPBESRZSA-N
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