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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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80723 49836401 1 SF3N3O7C32H36 AB3C3D7E32F36 -395.24 6.74 -9.12 -0.99 0
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80724 49836403 1 ClO3N5C25H26 AB3C5D25E26 -32.65 2.27 -8.18 -0.92 0
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80725 49836405 1 ClO2N7H24C25 AB2C7D24E25 58.84 3.86 -8.92 -0.62 0
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80726 49836415 1 O3C13H16 A3B13C16 -93.6 1.36 -8.93 0.2 0
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80727 49836425 1 F2N3O3C21H27 A2B3C3D21E27 -193.18 5.42 -8.65 -0.15 0
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80728 49836426 2 FON4H15C17 ABC4D15E17 6.43 7.76 -8.47 -1.1 0
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80729 49836442 1 NSO3C27H27 ABC3D27E27 -46.55 6.1 -8.69 -0.51 0
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80730 49836463 2 OC7H9 AB7C9 -20.84 1.27 -9.52 0.34 0
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80731 49836467 2 NO2H7C10 AB2C7D10 -8.56 5.35 -9.92 -1.72 0
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80732 49836473 1 N3O6C18H19 A3B6C18D19 -90.91 7.39 -10.14 -1.61 0
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80733 49836517 1 ClN2O4C16H17 AB2C4D16E17 -111.22 8.45 -8.34 -0.64 0
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80734 49836537 1 NO3C18H19 AB3C18D19 -39.75 1.9 -9.46 -0.49 0
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80735 49836564 1 ClOSC6H9 ABCD6E9 -45.89 1.86 -9.41 -0.78 0
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80736 49836622 1 OF3N3H14C21 AB3C3D14E21 -99.94 2.81 -8.92 -1.08 0
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80737 49836627 1 FSN4O6C30H35 ABC4D6E30F35 -252.7 9.59 -8.89 -0.34 0
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80738 49836628 1 ClFN4O4C26H30 ABC4D4E26F30 -130.31 8.11 -8.48 -0.59 0
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80739 49836629 1 N3O4C12H19 A3B4C12D19 -139.18 6.53 -8.76 -0.43 0
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80740 49836632 1 ClO4N6H25C32 AB4C6D25E32 -11.25 7.69 -8.57 -0.98 0
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80741 49836634 1 NO2C24H27 AB2C24D27 -41.54 2.86 -9.01 0.4 0
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80742 49836635 1 NO2C24H25 AB2C24D25 -17.59 4.42 -9.06 -0.51 0
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80743 49836636 1 NO3C24H25 AB3C24D25 -65.56 4.0 -8.91 -0.18 0
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80744 49836637 1 NO3C24H25 AB3C24D25 -61.82 3.71 -8.9 -0.11 0
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80745 49836639 1 NO3C24H27 AB3C24D27 -87.7 5.0 -8.8 0.09 0
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80746 49836641 1 NO5C15H21 AB5C15D21 -174.64 3.43 -9.6 -0.22 0
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80747 49836644 1 NP2O10C41H45 AB2C10D41E45 -410.13 3.4 -9.16 -0.19 0