N-[(2S,4S)-1-({4-[(2,4-Dichlorobenzyl)Oxy]-1-Piperidinyl}Sulfonyl)-4-(5-Fluoro-2-Pyrimidinyl)-2-Methyl-2-Pentanyl]-N-Hydroxyformamide

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Properties Simple | Detailed

Formula C23H29Cl2FN4O5S
IUPAC Name n-[(1s,3s)-1-[[4-[(2,4-dichlorophenyl)methoxy]-1-piperidyl]sulfonylmethyl]-3-(5-fluoropyrimidin-2-yl)-1-methyl-butyl]-n-hydroxy-formamide
Molecular Mass 563.470 g·mol−1
Heat of Formation -817.0 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 619.91 Å 3
Surface Area 501.84 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
InChIKey YSYXAGMNRKARQB-HJPURHCSSA-N
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Elements C F H Cl O N S