N-[4-(4-Fluorophenyl)-5-{(E)-2-[(2R,4S)-4-Hydroxy-6-Oxotetrahydro-2H-Pyran-2-Yl]Vinyl}-6-Isopropyl-2-Pyrimidinyl]-N-Methylmethanesulfonamide

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Properties Simple | Detailed

Formula C22H26FN3O5S
IUPAC Name n-[4-(4-fluorophenyl)-5-[(e)-2-[(2r,4s)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]vinyl]-6-isopropyl-pyrimidin-2-yl]-n-methyl-methanesulfonamide
Molecular Mass 463.522 g·mol−1
Heat of Formation -858.7 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 531.98 Å 3
Surface Area 438.35 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
InChIKey SOEGVMSNJOCVHT-RJCHQFKYSA-N
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