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
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