S-[3-(3,4-Dichlorophenyl)-3-Oxopropyl]-L-Cysteine

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Properties Simple | Detailed

Formula C12H13Cl2NO3S
IUPAC Name (2r)-2-amino-3-[3-(3,4-dichlorophenyl)-3-oxo-propyl]sulfanyl-propanoic acid
Molecular Mass 322.208 g·mol−1
Heat of Formation -525.4 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 344.66 Å 3
Surface Area 285.9 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
InChIKey WBRMJWLALJKZJY-JTQLQIEISA-N
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