Formula |
C27H24ClN5O6S |
IUPAC Name |
n-[4-chloro-5-[4-[3-(2-methoxyphenyl)-5-methyl-isoxazole-4-carbonyl]piperazin-1-yl]-2-nitro-phenyl]thiophene-2-carboxamide |
Molecular Mass |
582.027 g·mol−1 |
Heat of Formation |
-182.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.25 ± 1.08 D |
Volume |
634.45 Å 3 |
Surface Area |
479.3 Å 2 |
HOMO Energy |
-9.05 ± 0.55 eV |
LUMO Energy |
-1.55 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HDEDVIXSWBFUIT-UHFFFAOYSA-N |
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Links |
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Elements |
C
Cl
H
O
N
S
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