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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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37628 8022683 1 ClN2S2O3C12H13 AB2C2D3E12F13 -86.37 5.95 -8.86 -0.69 0
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37629 8022685 1 ClN2S2O3C12H13 AB2C2D3E12F13 -86.4 6.12 -8.86 -0.7 0
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37630 8022696 1 BrClN2O2S2H10C11 ABC2D2E2F10G11 -41.33 3.82 -8.96 -1.0 0
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37631 8022697 1 BrClN2O2S2H10C11 ABC2D2E2F10G11 -42.84 4.01 -8.97 -1.01 0
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37632 8022699 1 Cl2N2O2S2H10C11 A2B2C2D2E10F11 -51.73 2.15 -9.0 -0.91 0
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37633 8022705 1 N2O2S2C11H12 A2B2C2D11E12 -37.58 4.73 -8.82 -0.33 0
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37634 8022708 1 N2S2O3C12H14 A2B2C3D12E14 -79.15 2.52 -8.72 -0.39 0
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37635 8022719 1 FN2O2S2C11H11 AB2C2D2E11F11 -86.92 2.03 -9.07 -0.8 0
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37636 8022724 1 F2N2O2S2H10C11 A2B2C2D2E10F11 -130.04 3.82 -9.01 -0.9 0
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37637 8022727 1 ClN2O2S2C11H11 AB2C2D2E11F11 -48.57 1.83 -9.08 -0.8 0
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37638 8022731 1 FN2O2S2C11H11 AB2C2D2E11F11 -85.17 3.32 -8.98 -0.61 0
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37639 8022732 1 FN2O2S2C11H11 AB2C2D2E11F11 -85.77 3.19 -9.04 -0.71 0
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37640 8022746 1 ClN2O2S2F3H10C12 AB2C2D2E3F10G12 -206.85 4.55 -9.14 -1.3 0
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37641 8022751 1 ClN2O2S2C11H11 AB2C2D2E11F11 -47.18 3.4 -8.99 -0.69 0
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37642 8022756 1 BrN2O2S2C13H15 AB2C2D2E13F15 -54.82 5.73 -8.85 -0.52 0
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37643 8022761 1 BrFN2O2S2H10C11 ABC2D2E2F10G11 -79.73 3.6 -8.99 -1.01 0
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37644 8022764 1 BrFN2O2S2H10C11 ABC2D2E2F10G11 -79.75 3.8 -9.04 -1.03 -1
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37645 8022767 1 ClO5H14C16 AB5C14D16 -160.05 1.9 0.0 0.0 0
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37646 8022781 2 NOC10H12 ABC10D12 -28.62 3.12 -8.39 0.05 0
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37647 8022787 1 N2O2C21H26 A2B2C21D26 -35.36 4.1 -8.33 0.09 0
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37648 8022793 1 ClN2H15C16 AB2C15D16 51.48 3.52 -8.53 -0.08 0
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37649 8022823 1 SN2O5C21H22 AB2C5D21E22 -137.97 3.18 -8.54 -1.21 -1
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37650 8022828 1 SN2O3C14H15 AB2C3D14E15 -39.65 2.63 0.0 0.0 -2
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37651 8022848 2 NO3H7C10 AB3C7D10 -15.26 4.75 -9.72 -4.37 -1
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37652 8022850 1 O2N5C22H24 A2B5C22D24 70.72 14.22 0.0 0.0 0