5-(4-Chlorophenyl)-2-[(4-Methylphenyl)Sulfonyl]-4-Pentynoic Acid

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Properties Simple | Detailed

Formula C18H15ClO4S
IUPAC Name (2r)-5-(4-chlorophenyl)-2-(p-tolylsulfonyl)pent-4-ynoic acid
Molecular Mass 362.827 g·mol−1
Heat of Formation -372.8 ± 16.7 kJ·mol−1
Dipole Moment 5.37 ± 1.08 D
Volume 405.59 Å 3
Surface Area 357.33 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
InChIKey PZCCKADCRMBHIC-QGZVFWFLSA-N
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Elements H S C O Cl