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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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50817 12013406 1 N3O4C26H27 A3B4C26D27 -49.5 8.94 -8.4 -0.94 0
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50818 12013407 1 N3O4H23C25 A3B4C23D25 -38.21 9.52 -8.54 -1.08 0
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50819 12013408 1 O3N4C29H32 A3B4C29D32 -21.84 2.74 -8.14 -0.54 0
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50820 12013409 1 N3O4H23C26 A3B4C23D26 -44.95 8.63 -8.96 -1.49 0
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50821 12013410 1 N2Cl3S4H11C17 A2B3C4D11E17 107.62 6.94 -8.39 -1.52 0
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50822 12013411 2 NS2H5C8 AB2C5D8 129.8 6.81 -8.22 -1.41 0
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50823 12013412 2 NS2H6C8 AB2C6D8 127.12 6.63 -8.3 -1.36 0
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50824 12013413 1 N2O5C19H24 A2B5C19D24 -188.01 4.5 -8.96 -0.19 0
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50825 12013414 1 N2O5C19H24 A2B5C19D24 -187.94 3.92 -8.96 -0.76 0
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50826 12013415 1 N2S2O5C26H26 A2B2C5D26E26 -132.16 3.9 -8.49 -1.08 0
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50827 12013416 1 N2S2O5C26H26 A2B2C5D26E26 -130.7 3.22 -8.71 -1.17 0
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50828 12013417 1 N2S2O5C27H28 A2B2C5D27E28 -140.29 3.8 -8.59 -1.17 0
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50829 12013418 1 N2S2O5C27H28 A2B2C5D27E28 -137.98 3.48 -8.72 -1.13 0
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50830 12013419 1 N2S2O5H26C30 A2B2C5D26E30 -95.45 4.3 -8.64 -1.2 0
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50831 12013420 1 N2S2O5H26C30 A2B2C5D26E30 -92.55 3.45 -8.78 -1.24 0
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50832 12013421 1 N2O7C26H26 A2B7C26D26 -239.55 4.16 -8.98 -0.72 0
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50833 12013422 1 N2O7C26H26 A2B7C26D26 -237.64 2.36 -8.99 -0.93 0
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50834 12013423 1 ON2S2H14C19 AB2C2D14E19 65.27 3.36 -8.83 -1.25 0
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50835 12013424 1 ON2S2H16C20 AB2C2D16E20 57.28 2.65 -8.91 -1.26 0
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50836 12013425 1 N2O3H14C19 A2B3C14D19 -40.55 2.37 -9.56 -1.1 0
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50837 12013426 1 BON2F4C9H11 ABC2D4E9F11 -311.47 12.76 -10.32 -2.25 1
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50838 12013427 1 ON2C9H11 AB2C9D11 31.26 4.4 0.0 0.0 0
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50839 12013428 1 O3C13H16 A3B13C16 -101.49 3.63 -9.0 -0.71 0
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50840 12013429 1 ON2C22H22 AB2C22D22 20.21 4.75 -8.23 -0.22 0
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50841 12013430 1 ON2H20C21 AB2C20D21 21.58 7.27 -8.33 -0.36 0
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50842 12013431 1 ON2C24H26 AB2C24D26 8.73 1.77 -7.95 -0.07 0
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50843 12013432 1 BrON2H21C22 ABC2D21E22 22.62 9.9 -8.36 -0.55 0
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50844 12013433 1 N2O2C23H24 A2B2C23D24 -20.82 6.88 -8.19 -0.27 0
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50845 12013434 1 N2O3C26H28 A2B3C26D28 -86.62 4.59 -8.23 -0.63 0
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50846 12013435 1 OSiN2C30H40 ABC2D30E40 -49.69 3.86 -8.15 -0.15 0
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50847 12013436 1 SN2O3H24C27 AB2C3D24E27 -25.51 8.81 -8.08 -1.08 0
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50848 12013437 1 Br2H2S3C8 A2B2C3D8 95.37 0.15 -8.73 -1.08 0
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50849 12013438 1 S3Br4C8 A3B4C8 108.72 2.22 -8.88 -1.34 0
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50850 12013439 1 HBr3S3C8 AB3C3D8 99.87 1.15 -8.81 -1.23 0
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50851 12013440 1 BrH3S3C8 AB3C3D8 81.7 0.25 -8.61 -0.93 0
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50852 12013441 1 Br2H2S3C8 A2B2C3D8 88.65 1.72 -8.72 -1.08 0
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50853 12013442 1 Br2H2S3C8 A2B2C3D8 90.17 1.3 -8.72 -1.08 0
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50854 12013443 1 SiBr3S3H9C11 AB3C3D9E11 51.38 3.0 -8.53 -1.02 0
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50855 12013444 1 HBr3S3C8 AB3C3D8 98.63 2.15 -8.79 -1.23 0
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50856 12013445 2 NC5H8 AB5C8 8.74 5.18 -9.19 1.45 0
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50857 12013446 1 NO2F12C15H17 AB2C12D15E17 -699.32 3.29 -11.03 -1.34 0
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50858 12013447 1 NO3F12C15H17 AB3C12D15E17 -755.01 4.81 -11.25 -1.61 1
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50859 12013448 1 ClPN2O2C12H15 ABC2D2E12F15 -100.37 2.5 0.0 0.0 1
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50860 12013449 1 ClPN2O2C11H13 ABC2D2E11F13 -93.36 1.87 0.0 0.0 0
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50861 12013450 1 PN2O2S2C19H23 AB2C2D2E19F23 -92.27 8.69 -7.78 -0.7 0
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50862 12013451 1 PN2O2S2C17H19 AB2C2D2E17F19 -80.99 5.57 -8.36 -0.6 0
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50863 12013452 1 PN2O2S2C19H23 AB2C2D2E19F23 -88.99 5.56 -8.56 -0.34 0
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50864 12013453 1 PN2O2S2C20H25 AB2C2D2E20F25 -91.07 7.81 -8.39 -0.3 0
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50865 12013454 1 PN2O2S2C18H21 AB2C2D2E18F21 -84.23 5.62 -8.43 -0.53 0
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50866 12013455 1 BNPC22H25 ABCD22E25 114.52 3.78 -8.79 -0.1 0