[(2R,4S)-4-(5-Chloroindol-1-Ium-2-Yl)Sulfonyl-2-Isobutyl-Piperazin-1-Yl]-[5-(4-Pyridyl)Pyrimidin-2-Yl]Methanone

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Properties Simple | Detailed

Formula C26H27ClN6O3S
IUPAC Name [(2r,4s)-4-(5-chloroindol-1-ium-2-yl)sulfonyl-2-isobutyl-piperazin-1-yl]-[5-(4-pyridyl)pyrimidin-2-yl]methanone
Molecular Mass 539.049 g·mol−1
Heat of Formation -81.5 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 605.03 Å 3
Surface Area 487.31 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 1.65 ± eV
Point Group Symmetry C1
InChIKey JUUFKVAFKAKWRV-JOCHJYFZSA-N
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