5-Chloro-6-Ethyl-2-{5-[(4-Methyl-1-Piperazinyl)Sulfonyl]-2-Propoxyphenyl}-4(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C20H28ClN4O4S+
IUPAC Name 5-chloro-4-ethyl-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1h-pyrimidin-3-ium-5-id-6-one
Molecular Mass 455.979 g·mol−1
Heat of Formation -563.6 ± 16.7 kJ·mol−1
Dipole Moment 7.73 ± 1.08 D
Volume 522.36 Å 3
Surface Area 438.42 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
InChIKey HVJOKVUJWQTZFF-UHFFFAOYSA-O
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