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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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70802 48413890 1 O3N4C15H18 A3B4C15D18 -82.41 5.31 -9.17 -0.39 0
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70803 48413891 1 F3O3N5C15H16 A3B3C5D15E16 -167.38 9.43 -9.52 -1.36 0
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70804 48413892 1 ClO2N5C16H16 AB2C5D16E16 21.48 3.59 -9.68 -1.1 0
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70805 48413893 1 FO2N5C16H16 AB2C5D16E16 -19.16 1.77 -9.66 -0.93 0
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70806 48413896 1 SO2N4C10H14 AB2C4D10E14 -55.93 3.08 -9.44 -0.64 0
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70807 48413897 1 O2N5C16H19 A2B5C16D19 -33.09 11.82 -9.23 -0.79 0
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70808 48413898 1 SO3N4C20H28 AB3C4D20E28 -102.38 5.0 -9.5 -0.62 0
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70809 48413899 1 ClOSN4H15C16 ABCD4E15F16 27.85 2.22 -9.41 -1.56 0
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70810 48413900 1 OSN4H14C15 ABC4D14E15 50.79 3.75 -9.41 -1.13 0
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70811 48413901 1 SN3O3C14H17 AB3C3D14E17 -76.0 6.03 -9.37 -0.24 0
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70812 48413902 1 ON6C17H22 AB6C17D22 26.43 1.08 -8.98 -0.58 0
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70813 48413903 1 OSN6C17H20 ABC6D17E20 45.53 6.69 -8.51 -0.57 0
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70814 48413906 1 BrN3O3C17H22 AB3C3D17E22 -89.12 3.24 -8.5 -0.13 0
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70815 48413907 1 O3N4C17H22 A3B4C17D22 -100.24 6.21 -9.02 -0.27 0
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70816 48413908 1 O2F3N5H16C18 A2B3C5D16E18 -136.6 9.56 -9.52 -1.3 0
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70817 48413909 1 O2N4H16C19 A2B4C16D19 62.1 5.36 -9.05 -1.42 0
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70818 48413910 1 O2N5C16H17 A2B5C16D17 30.3 4.38 -9.54 -0.96 0
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70819 48413912 4 NOC4H5 ABC4D5 -105.84 4.93 -8.66 -0.28 0
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70820 48413913 2 ON2C9H12 AB2C9D12 -54.63 3.63 -9.49 -0.26 0
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70821 48413914 2 ClON2C7H7 ABC2D7E7 -50.3 2.85 -9.48 -1.14 0
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70822 48413915 2 ON2C8H10 AB2C8D10 -47.78 3.52 -9.33 0.01 0
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70823 48413916 1 O3N4C16H20 A3B4C16D20 -80.4 4.89 -9.25 -0.38 0
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70824 48413917 1 ClO2N3H14C16 AB2C3D14E16 0.26 6.65 -9.28 -1.02 0
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70825 48413918 1 SO3N4C15H20 AB3C4D15E20 -80.68 1.82 -9.65 -0.66 0
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70826 48413919 1 O2N3C19H21 A2B3C19D21 -24.39 2.6 -8.51 -0.56 0