Formula |
C24H25ClFN3O6S2 |
IUPAC Name |
n-[[3-[(2s)-2-tert-butyl-1-[(3-chloro-4-fluoro-phenyl)methyl]-3-hydroxy-5-oxo-2h-pyrrol-4-yl]-1,1-dioxo-1,2-benzothiazol-7-yl]methyl]methanesulfonamide |
Molecular Mass |
570.053 g·mol−1 |
Heat of Formation |
-976.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.18 ± 1.08 D |
Volume |
605.17 Å 3 |
Surface Area |
485.77 Å 2 |
HOMO Energy |
-9.88 ± 0.55 eV |
LUMO Energy |
-1.43 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OOHPVZYDADHCHM-JOCHJYFZSA-N |
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Links |
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Downloads |
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Elements |
C
F
H
Cl
O
N
S
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