(2S)-5-Phenyl-2-(Sulfanylmethyl)Pentanoic Acid

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Properties Simple | Detailed

Formula C12H16O2S
IUPAC Name (2s)-5-phenyl-2-(sulfanylmethyl)pentanoic acid
Molecular Mass 224.319 g·mol−1
Heat of Formation -361.6 ± 16.7 kJ·mol−1
Dipole Moment 1.83 ± 1.08 D
Volume 285.27 Å 3
Surface Area 267.13 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
InChIKey HEPZYEZEUMVYDV-LLVKDONJSA-N
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Elements H C S O