3-Hydroxy-3-Methyl-5-Sulfanylpentanoic Acid

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Formula C6H12O3S
IUPAC Name (3s)-3-hydroxy-3-methyl-5-sulfanyl-pentanoic acid
Molecular Mass 164.223 g·mol−1
Heat of Formation -666.8 ± 16.7 kJ·mol−1
Dipole Moment 0.70 ± 1.08 D
Volume 200.15 Å 3
Surface Area 192.96 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey MCHPXVGJHBKMNR-ZCFIWIBFSA-N
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Elements H C S O