N-[4-Chloro-5-[4-[3-(2-Methoxyphenyl)-5-Methyl-Isoxazole-4-Carbonyl]Piperazin-1-Yl]-2-Nitro-Phenyl]Thiophene-2-Carboxamide

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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 -190.4 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 631.04 Å 3
Surface Area 472.52 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
InChIKey TZOCTNXQAFUGPD-UHFFFAOYSA-N
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