4-[(5R)-5-(3,5-Dichlorophenyl)-5-(Trifluoromethyl)-4,5-Dihydro-1,2-Oxazol-3-Yl]-2-Methyl-N-{2-Oxo-2-[(2,2,2-Trifluoroethyl)Amino]Ethyl}Benzamide

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Properties Simple | Detailed

Formula C22H17Cl2F6N3O3
IUPAC Name 4-[(5r)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4h-isoxazol-3-yl]-2-methyl-n-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
Molecular Mass 556.285 g·mol−1
Heat of Formation -1603.9 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 562.2 Å 3
Surface Area 469.62 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 1.68 ± eV
Point Group Symmetry C1
InChIKey MLBZKOGAMRTSKP-HXUWFJFHSA-N
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Elements C F H Cl O N