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

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Formula C22H32N4O4S+
IUPAC Name 5,6-diethyl-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]pyrimidin-3-ium-5-id-4-one
Molecular Mass 448.579 g·mol−1
Heat of Formation -609.6 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 541.07 Å 3
Surface Area 455.16 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey FJJLJIBQQGUEHI-UHFFFAOYSA-N
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