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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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167781 74874479 1 OS2N3C11H15 AB2C3D11E15 22.71 4.41 -8.66 -1.74 0
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167782 74874480 1 ON2S2C13H16 AB2C2D13E16 9.04 2.71 -9.01 -1.61 0
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167783 74874535 1 ClO2N3C14H20 AB2C3D14E20 -60.33 5.47 -9.18 -0.38 0
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167784 74874536 1 NO3C17H21 AB3C17D21 -102.38 7.94 -8.82 -0.28 0
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167785 74875888 1 NO3C14H17 AB3C14D17 -108.5 5.52 -9.08 -0.61 0
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167786 74876207 1 BrOSN2C8H15 ABCD2E8F15 -60.7 3.29 -9.04 -0.22 0
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167787 74876208 1 BrOSN2C7H13 ABCD2E7F13 -56.77 3.91 -9.23 -0.5 0
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167788 74876209 1 SN2O2F3C11H13 AB2C2D3E11F13 -180.92 2.69 -9.3 -1.2 0
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167789 74876241 1 SN2O3C14H18 AB2C3D14E18 -98.13 7.0 -9.16 -1.38 0
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167790 74876531 1 N2O3C14H18 A2B3C14D18 -55.66 4.0 -9.12 -0.36 0
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167791 74876552 1 NO2C13H19 AB2C13D19 -50.15 2.84 -8.56 0.04 0
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167792 74876676 1 SN2O2C13H16 AB2C2D13E16 -36.87 5.62 -9.45 -1.14 0
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167793 74876990 1 SN4O4C5H12 AB4C4D5E12 -130.25 3.58 -9.38 0.24 0
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167794 74877492 1 OSN2C15H16 ABC2D15E16 5.59 4.6 -9.13 -0.49 0
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167795 74877531 2 FNOC7H9 ABCD7E9 -180.92 3.92 -9.42 -0.44 0
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167796 74877626 1 BrClN2O2C14H18 ABC2D2E14F18 -60.99 10.66 -7.96 -1.15 0
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167797 74878040 1 O2N3C9H19 A2B3C9D19 -73.07 3.63 -9.07 0.62 0
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167798 74878041 1 N3O3C15H23 A3B3C15D23 -74.64 2.27 -8.93 -0.26 0
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167799 74878447 1 N2S2O3H8C9 A2B2C3D8E9 -56.51 2.26 -9.29 -2.04 0
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167800 74878614 1 OSN3C13H15 ABC3D13E15 54.91 2.58 -8.89 -0.26 0
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167801 74878615 1 OSN3C13H15 ABC3D13E15 54.75 3.61 -8.34 -0.35 0
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167802 74879168 1 O2N3C8H17 A2B3C8D17 -55.87 0.97 -8.91 0.91 0
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167803 74879404 1 N3C18H29 A3B18C29 14.26 3.36 -8.53 0.18 0
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167804 74879758 1 FNSO2C13H14 ABCD2E13F14 -90.81 5.08 -8.74 -1.11 0
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167805 74880012 1 FN2O3C13H15 AB2C3D13E15 -133.68 3.01 -9.32 -1.32 0