1-[(3S)-1-{[3-(3-Chlorophenoxy)-4-Hydroxyphenyl]Sulfonyl}-3-Piperidinyl]-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Formula C22H22ClN3O6S
IUPAC Name 1-[(3s)-1-[3-(3-chlorophenoxy)-4-hydroxy-phenyl]sulfonyl-3-piperidyl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 491.945 g·mol−1
Heat of Formation -860.6 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 533.1 Å 3
Surface Area 444.97 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
InChIKey IDMZBDJWQBWWLK-INIZCTEOSA-N
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