Formula |
C22H22IN7O4S2 |
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 |
639.489 g·mol−1 |
Heat of Formation |
116.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.95 ± 1.08 D |
Volume |
601.64 Å 3 |
Surface Area |
452.8 Å 2 |
HOMO Energy |
-8.99 ± 0.55 eV |
LUMO Energy |
-1.52 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WXICWMCKWJCJBV-UHFFFAOYSA-N |
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Elements |
C
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