Formula |
C15H14Cl2F3N3O3 |
IUPAC Name |
ethyl (2s)-2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluoro-phenyl]propanoate |
Molecular Mass |
412.191 g·mol−1 |
Heat of Formation |
-1016.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.56 ± 1.08 D |
Volume |
416.58 Å 3 |
Surface Area |
339.7 Å 2 |
HOMO Energy |
-9.43 ± 0.55 eV |
LUMO Energy |
-1.08 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MLKCGVHIFJBRCD-JTQLQIEISA-N |
QR Code |
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Links |
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Downloads |
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Elements |
C
F
H
Cl
O
N
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