4-Iodo-N-{[1-(2-Oxo-2-{4-[3-(2-Thienyl)-1,2,4-Oxadiazol-5-Yl]-1-Piperidinyl}Ethyl)-1H-1,2,3-Triazol-4-Yl]Methyl}Benzenesulfonamide

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Properties Simple | Detailed

Formula C22H24IN7O4S2
IUPAC Name 4-iodo-n-[[1-[2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]triazol-4-yl]methyl]benzenesulfonamide
Molecular Mass 641.505 g·mol−1
Heat of Formation 93.7 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 609.75 Å 3
Surface Area 424.9 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
InChIKey WXICWMCKWJCJBV-UHFFFAOYSA-N
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