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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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123638 50857554 1 ON4H20C23 AB4C20D23 96.67 8.38 -8.58 -0.69 0
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123639 50857555 1 N3H17C18 A3B17C18 101.26 5.69 -7.99 -0.43 0
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123640 50857574 1 ON4H24C25 AB4C24D25 74.11 7.39 -8.18 -0.61 0
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123641 50857578 1 O2N3H15C18 A2B3C15D18 85.31 11.46 -9.1 -1.12 0
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123642 50857579 1 N3O3H17C18 A3B3C17D18 -65.34 8.19 -9.1 -1.24 0
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123643 50857591 2 NOSH7C8 ABCD7E8 -0.19 8.32 -8.52 -1.31 0
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123644 50857592 1 SO2N3H15C16 AB2C3D15E16 -4.91 7.87 -8.39 -1.3 0
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123645 50857737 2 ON2H11C12 AB2C11D12 51.84 5.11 -8.29 -0.84 0
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123646 50857759 1 SN2O2C18H18 AB2C2D18E18 -36.04 6.85 -8.67 -0.96 0
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123647 50857760 1 SN2O2H18C22 AB2C2D18E22 1.74 6.61 -8.77 -0.99 0
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123648 50857761 1 N2O2H16C19 A2B2C16D19 10.11 9.68 -8.85 -0.78 0
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123649 50857842 1 O2N3H17C19 A2B3C17D19 78.65 9.03 -8.76 -1.14 0
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123650 50857843 1 ON2C23H26 AB2C23D26 29.47 3.31 -8.16 -0.24 0
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123651 50857886 1 FON2H17C19 ABC2D17E19 11.97 3.98 -8.43 -0.53 0
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123652 50857905 1 SN2O3C19H20 AB2C3D19E20 -76.52 7.31 -8.56 -0.89 0
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123653 50857923 1 ClFSN2O3H18C23 ABCD2E3F18G23 -93.32 7.27 -8.65 -0.87 0
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123654 50857932 1 FSN2O3H19C23 ABC2D3E19F23 -86.28 9.87 -8.71 -0.94 0
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123655 50858122 1 IN2C21H25 AB2C21D25 50.2 6.4 -8.03 -0.52 0
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123656 50858123 1 OSN3C24H27 ABC3D24E27 17.33 3.61 -7.91 -0.81 0
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123657 50858124 1 ON3C20H25 AB3C20D25 12.23 4.18 -7.89 -0.43 0
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123658 50858136 1 N2O2C27H30 A2B2C27D30 2.39 3.41 -7.75 -0.23 0
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123659 50858137 1 N2O2C27H30 A2B2C27D30 -2.45 3.11 -7.83 -0.25 0
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123660 50858138 1 ClOSN3C23H24 ABCD3E23F24 20.86 5.84 -7.94 -0.94 0
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123661 50858178 1 ClOSN3C24H26 ABCD3E24F26 12.62 3.97 -7.92 -0.88 0
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123662 50858326 1 BrIO2N3C23H23 ABC2D3E23F23 27.05 7.33 -8.18 -1.42 0