2-{1-[(2-Acetamido-2-Carboxylatoethyl)Sulfanyl]-2H-Isoindol-2-Yl}-3-Methylbutanoate

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Formula C18H22N2O5S
IUPAC Name 2-[1-(2-acetamido-2-carboxyethyl)sulfanylisoindol-2-yl]-3-methylbutanoic acid
Molecular Mass 378.443 g·mol−1
Heat of Formation -831.2 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 450.47 Å 3
Surface Area 364.1 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
InChIKey DLQUETFHQQTKAC-GJZGRUSLSA-N
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