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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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72627 48416375 2 ON3C11H12 AB3C11D12 16.98 2.57 -9.32 -0.68 0
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72628 48416376 1 O2S2N4C17H20 A2B2C4D17E20 -30.88 7.37 -8.87 -1.02 0
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72629 48416377 1 O3N6C17H20 A3B6C17D20 -53.66 3.72 -9.35 -1.18 0
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72630 48416378 1 SO3N5C19H23 AB3C5D19E23 -102.63 9.86 -8.77 -1.13 0
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72631 48416379 1 N4O5C21H30 A4B5C21D30 -195.11 3.77 -8.45 -0.13 0
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72632 48416380 1 BrO3N4C17H21 AB3C4D17E21 -103.68 2.13 -9.45 -0.62 0
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72633 48416381 1 BrN4O4C15H19 AB4C4D15E19 -126.76 3.99 -9.5 -0.84 0
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72634 48416382 1 N4O4C19H26 A4B4C19D26 -154.78 6.6 -9.13 -0.16 0
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72635 48416383 1 O3N4C18H24 A3B4C18D24 -115.42 4.98 -9.44 -0.17 0
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72636 48416384 1 N5O6C19H23 A5B6C19D23 -149.82 6.99 -9.61 -1.64 0
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72637 48416385 1 O4N5C21H27 A4B5C21D27 -156.51 8.29 -9.1 -0.58 0
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72638 48416386 1 O2N3C20H29 A2B3C20D29 -96.23 7.62 -8.86 0.59 0
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72639 48416387 1 O3N4C20H26 A3B4C20D26 -119.47 2.47 -8.62 0.01 0
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72640 48416388 2 N2O2C9H12 A2B2C9D12 -160.48 5.03 -9.3 -0.38 0
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72641 48416389 1 ClO3N5C19H22 AB3C5D19E22 -56.69 3.26 -9.46 -1.0 0
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72642 48416390 1 FO3N5C19H22 AB3C5D19E22 -92.81 7.84 -9.63 -0.9 0
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72643 48416392 1 ClN3O3C22H24 AB3C3D22E24 -86.12 6.58 -9.24 -0.62 0
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72644 48416393 1 N3O3C17H23 A3B3C17D23 -106.46 8.1 -9.24 0.12 0
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72645 48416394 1 SO3N4C13H20 AB3C4D13E20 -134.57 3.94 -9.27 -0.58 0
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72646 48416395 1 O3N5C19H25 A3B5C19D25 -109.14 9.14 -9.47 -1.06 0
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72647 48416396 1 FSO2N3C18H20 ABC2D3E18F20 -103.22 6.4 -8.93 -1.02 0
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72648 48416397 1 F2N3O3C17H21 A2B3C3D17E21 -218.05 9.17 -9.07 0.05 0
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72649 48416398 1 O2S2N4C17H20 A2B2C4D17E20 -30.9 7.08 -9.12 -1.07 0
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72650 48416399 1 ClSO2N4C19H21 ABC2D4E19F21 -43.73 5.99 -9.3 -1.25 0
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72651 48416400 1 SO2N4C18H20 AB2C4D18E20 -22.68 3.11 -9.15 -1.11 0