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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39503 8141061 1 NCl2O2C17H17 AB2C2D17E17 -68.87 4.22 -9.14 -0.58 0
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39504 8141066 1 Cl2N2O3C19H20 A2B2C3D19E20 -110.86 3.44 -9.24 -0.64 0
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39505 8141069 1 Cl2N2O5H16C17 A2B2C5D16E17 -97.29 7.88 -9.46 -1.59 0
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39506 8141077 1 O2S2F3N4C14H15 A2B2C3D4E14F15 -176.12 4.51 -9.13 -1.56 0
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39507 8141083 1 ClO2F3N3H17C18 AB2C3D3E17F18 -200.43 6.23 -9.06 -1.1 1
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39508 8141084 1 ClO2F3N3C18H18 AB2C3D3E18F18 -202.96 7.68 0.0 0.0 0
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39509 8141085 1 ClO2F3N3H17C18 AB2C3D3E17F18 -203.15 4.57 -9.06 -1.3 0
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39510 8141087 1 ClNO4C18H20 ABC4D18E20 -114.16 3.56 -8.74 -0.25 0
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39511 8141088 1 ClNO3C17H18 ABC3D17E18 -78.17 5.5 -8.71 -0.25 0
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39512 8141089 1 ClNO3C17H18 ABC3D17E18 -86.7 4.59 -9.08 -0.04 0
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39513 8141094 1 ClNO2C16H16 ABC2D16E16 -59.27 2.77 -8.93 -0.44 0
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39514 8141109 1 N2O3C20H22 A2B3C20D22 -72.71 6.11 -9.17 -0.33 0
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39515 8141117 1 ClSN2O2C20H21 ABC2D2E20F21 -46.31 1.8 -8.98 -0.65 0
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39516 8141129 1 SN2F3O3H11C18 AB2C3D3E11F18 -181.27 0.64 -8.52 -1.58 0
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39517 8141131 1 SN2O3C21H22 AB2C3D21E22 -69.18 4.36 -8.47 -0.73 0
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39518 8141132 1 SN2O4H16C19 AB2C4D16E19 -70.36 6.7 -8.32 -0.77 0
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39519 8141136 1 SN2O3H16C19 AB2C3D16E19 -39.52 4.81 -8.4 -0.73 0
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39520 8141139 1 BrSN3O3H10C16 ABC3D3E10F16 -0.94 3.6 -8.76 -1.26 0
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39521 8141148 1 SN3O5H13C18 AB3C5D13E18 -24.71 4.85 -8.71 -1.7 0
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39522 8141165 1 SN2O5H18C21 AB2C5D18E21 -99.53 7.02 -8.94 -1.24 0
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39523 8141186 1 SN2O4H14C18 AB2C4D14E18 -69.14 4.64 -8.59 -1.06 0
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39524 8141187 1 SN2O5H18C20 AB2C5D18E20 -93.59 4.75 -8.46 -0.77 0
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39525 8141188 1 FN2S2O3H13C18 AB2C2D3E13F18 -67.87 0.55 -8.77 -0.98 0
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39526 8141189 1 SN2F3O4H11C18 AB2C3D4E11F18 -224.11 2.27 -8.49 -1.29 0
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39527 8141190 1 SCl2N2O3H10C17 AB2C2D3E10F17 -28.48 3.35 -8.6 -1.27 0