N-[4-Chloro-5-(4-{[3-(2-Methoxyphenyl)-5-Methyl-1,2-Oxazol-4-Yl]Carbonyl}-1-Piperazinyl)-2-Nitrophenyl]-2-Thiophenecarboxamide

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Properties Simple | Detailed

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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Elements C Cl H O N S