2-(3-Sulfanylpropanoyl)-1,2,3,4-Tetrahydro-1-Isoquinolinecarboxylic Acid

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Formula C13H15NO3S
IUPAC Name (1r)-2-(3-sulfanylpropanoyl)-3,4-dihydro-1h-isoquinoline-1-carboxylic acid
Molecular Mass 265.328 g·mol−1
Heat of Formation -471.3 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 307.26 Å 3
Surface Area 277.09 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
InChIKey ARBBMPDGVLNWHA-GFCCVEGCSA-N
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