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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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429416 135169448 1 O2N5H25C44 A2B5C25D44 205.72 4.07 -8.4 -1.39 0
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429417 135169449 1 ON2H7C10F13 AB2C7D10E13 -688.94 4.07 -10.28 -1.25 0
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429418 135169456 1 O2N5H25C44 A2B5C25D44 202.8 2.04 -8.46 -1.4 0
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429419 135169467 1 SO4N8C27H34 AB4C8D27E34 -91.43 4.08 -9.14 -1.59 0
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429420 135169468 1 BrIOSN3H7C9 ABCDE3F7G9 26.14 4.28 -9.02 -2.67 0
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429421 135169469 1 ON5H31C50 AB5C31D50 247.49 2.4 -8.14 -1.22 0
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429422 135169471 1 O2N5H33C56 A2B5C33D56 247.98 3.62 -8.26 -1.34 0
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429423 135169472 1 FN3H12C17 AB3C12D17 47.13 3.33 -8.75 -0.89 0
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429424 135169473 1 SN2O2C9H10 AB2C2D9E10 -41.51 2.27 -8.17 -0.44 0
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429425 135169474 1 ClSO3N4C20H23 ABC3D4E20F23 -58.02 3.84 -8.15 -1.0 0
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429426 135169475 1 O4N7C33H45 A4B7C33D45 -117.02 7.41 -8.91 -0.64 0
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429427 135169476 1 O5N8C31H42 A5B8C31D42 -169.85 2.28 -9.18 -0.8 0
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429428 135169477 1 ClSO2N4C19H21 ABC2D4E19F21 -34.06 2.09 -8.36 -0.4 0
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429429 135169478 1 O4N8C23H36 A4B8C23D36 -150.51 12.71 -8.8 0.11 0
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429430 135169479 1 OSN2C14H20 ABC2D14E20 -31.52 2.18 -8.01 0.0 0
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429431 135169480 1 O2N5H33C56 A2B5C33D56 249.38 4.12 -8.24 -1.28 0
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429432 135169481 2 SO3N4C14H18 AB3C4D14E18 -180.69 4.05 -9.05 -1.26 0
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429433 135169482 1 O2N5H33C56 A2B5C33D56 247.56 4.67 -8.24 -1.43 0
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429434 135169483 2 SO2N4C14H18 AB2C4D14E18 -83.76 1.91 -8.86 -1.56 0
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429435 135169484 1 N7H131C175 A7B131C175 674.68 2.52 -7.75 -0.61 0
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429436 135169485 1 SO5N8C29H36 AB5C8D29E36 -141.45 9.04 -9.4 -1.72 0
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429437 135169486 1 SN2O2H14C16 AB2C2D14E16 -21.83 3.74 -8.56 -0.54 0
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429438 135169487 1 BrSO2N3C19H20 ABC2D3E19F20 -18.14 5.21 -8.48 -0.71 0
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429439 135169488 1 OSN5C23H25 ABC5D23E25 63.01 4.64 -8.32 -0.36 0
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429440 135169489 1 O4N6C25H40 A4B6C25D40 -176.32 3.46 -9.39 0.15 0