(2R,3R)-3-{[2-{[4-(S-Cyclopropylsulfonimidoyl)Phenyl]Amino}-5-(Trifluoromethyl)-4-Pyrimidinyl]Oxy}-2-Butanol

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Formula C18H24F3N4O3S
IUPAC Name (2r,3r)-3-[2-[4-(cyclopropylsulfonimidoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]oxybutan-2-ol
Molecular Mass 433.468 g·mol−1
Heat of Formation -803.6 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 474.85 Å 3
Surface Area 398.51 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 1.64 ± eV
Point Group Symmetry C1
InChIKey UELYDGOOJPRWGF-SRQXXRKNSA-N
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