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Ethofenprox |
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ID: AC-12690 CAS:80844-07-1 Supplier:Hangzhou APIChem Technology Co., Limited SMILES:C(c1ccc(cc1)OCC)(COCc1cc(Oc2ccccc2)ccc1)(C)C FORMULA: C25H28O3
MASS: 376.4880
EXACT MASS: 376.2038448
INTERATOMIC DISTANCES
C 1 C 2 O 3 C 4 C 5 C 6
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C 1 0.0000
C 2 0.8250 0.0000
O 3 4.6226 5.4448 0.0000
C 4 3.8875 4.7125 0.8248 0.0000
C 5 1.4218 0.8125 5.9467 5.1732 0.0000
C 6 1.4280 0.8233 5.8494 5.1737 1.4125 0.0000
C 7 3.2058 4.0254 1.4250 0.8176 4.5547 4.4269
C 8 2.4583 1.6333 7.0738 6.3458 1.4135 1.4073
O 9 1.4271 2.1784 3.3894 2.7543 2.8487 2.4667
C 10 2.1703 1.4171 6.6610 5.9796 1.6295 0.8125
C 11 2.1741 1.4181 6.7547 5.9874 0.8208 1.6337
C 12 5.3167 6.1417 0.8233 1.4292 6.5915 6.5928
C 13 2.4667 3.2917 2.1761 1.4208 3.7705 3.7713
C 14 0.8250 1.6500 3.8016 3.0625 2.1781 2.1821
O 15 3.2833 2.4583 7.8976 7.1708 2.1663 2.1622
C 16 3.3984 4.1779 2.1852 1.4321 4.4364 4.8149
C 17 0.8250 1.1609 4.7756 3.9831 1.2355 1.9685
C 18 0.8250 1.1609 4.6309 3.9813 1.9587 1.2343
C 19 2.1784 2.9691 2.5691 1.9699 3.5869 3.2917
C 20 3.9741 4.7842 1.4301 0.8292 5.1265 5.3507
C 21 2.5931 3.3864 2.4673 1.6424 3.7017 4.0020
C 22 3.7662 2.9609 8.3059 7.6175 2.8415 2.4583
C 23 5.3762 6.1927 1.4259 1.6487 6.5512 6.7280
C 24 6.0391 6.8624 1.4208 2.1761 7.3472 7.2687
C 25 3.5842 2.8477 7.9538 7.3126 2.9588 2.1705
C 26 6.7375 7.5625 2.1720 2.8500 8.0060 8.0064
C 27 6.1508 6.9609 2.1774 2.4720 7.2824 7.5197
C 28 6.7920 7.6115 2.4699 2.9722 7.9802 8.1260
C 7 C 8 O 9 C 10 C 11 C 12
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C 7 0.0000
C 8 5.6517 0.0000
O 9 1.9749 3.7557 0.0000
C 10 5.2378 0.8104 3.2792 0.0000
C 11 5.3543 0.8171 3.5831 1.4125 0.0000
C 12 2.1769 7.7750 4.1513 7.4011 7.4081 0.0000
C 13 0.8212 4.9250 1.4321 4.5719 4.5795 2.8500
C 14 2.3901 3.2833 0.8301 2.9620 2.9671 4.4917
O 15 6.4749 0.8250 4.5684 1.4181 1.4171 8.6000
C 16 1.6458 5.7613 2.7548 5.5678 5.2521 2.4786
C 17 3.4193 2.5892 1.9834 2.5559 2.0538 5.3885
C 18 3.2141 2.5812 1.2415 2.0448 2.5550 5.3885
C 19 1.1676 4.5684 0.8250 4.1042 4.3524 3.3421
C 20 1.4259 6.4008 3.0772 6.1333 5.9471 1.6502
C 21 1.4193 4.9895 1.9710 4.7632 4.5222 2.9676
C 22 6.8821 1.4280 4.9250 1.6458 2.1707 9.0416
C 23 2.4662 7.8158 4.3676 7.5213 7.3719 0.8250
C 24 2.8458 8.4927 4.8060 8.0806 8.1595 0.8197
C 25 6.5433 1.6466 4.5684 1.4306 2.4636 8.7193
C 26 3.5816 9.1958 5.5553 8.8160 8.8239 1.4208
C 27 3.2895 8.5749 5.1818 8.3071 8.1012 1.4259
C 28 3.7713 9.2380 5.7263 8.9251 8.8009 1.6466
C 13 C 14 O 15 C 16 C 17 C 18
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C 13 0.0000
C 14 1.6417 0.0000
O 15 5.7500 4.1083 0.0000
C 16 1.4218 2.6466 6.5692 0.0000
C 17 2.6102 1.1726 3.3804 3.2011 0.0000
C 18 2.6076 1.1726 3.3743 3.7838 1.6500 0.0000
C 19 0.8305 1.4271 5.3848 2.2522 2.5800 2.0649
C 20 1.6451 3.1717 7.2195 0.8284 3.8958 4.2308
C 21 0.8167 1.8280 5.8047 0.8203 2.4708 2.9642
C 22 6.2045 4.5786 0.8233 7.1364 4.0000 3.6889
C 23 2.9641 4.5627 8.6365 2.1843 5.3208 5.5708
C 24 3.5816 5.2163 9.3169 3.2983 6.1589 6.0474
C 25 5.9259 4.3525 1.4250 6.9811 3.9805 3.3318
C 26 4.2708 5.9125 10.0208 3.7792 6.7966 6.7956
C 27 3.7687 5.3452 9.3919 2.8583 6.0474 6.3761
C 28 4.3547 5.9739 10.0599 3.5982 6.7500 6.9487
C 19 C 20 C 21 C 22 C 23 C 24
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C 19 0.0000
C 20 2.4007 0.0000
C 21 1.5908 1.4251 0.0000
C 22 5.7500 7.7401 6.3473 0.0000
C 23 3.6082 1.4250 2.8500 9.1407 0.0000
C 24 3.9831 2.4699 3.7672 9.7258 1.4280 0.0000
C 25 5.3848 7.5193 6.1706 0.8233 8.8886 9.3646
C 26 4.7384 2.9682 4.3523 10.4582 1.6487 0.8212
C 27 4.4293 2.1769 3.5878 9.9169 0.8233 1.6500
C 28 4.9371 2.8542 4.2792 10.5520 1.4292 1.4301
C 25 C 26 C 27 C 28
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C 25 0.0000
C 26 10.1228 0.0000
C 27 9.6850 1.4316 0.0000
C 28 10.2771 0.8292 0.8269 0.0000
ATOMIC CHARGES
C 1 0.0462927511
C 2 -0.0202445803
O 3 -0.4535059634
C 4 0.1450606171
C 5 -0.0010958922
C 6 -0.0010958922
C 7 0.0356434632
C 8 0.1385301025
O 9 -0.3486719858
C 10 0.0365760643
C 11 0.0365760643
C 12 0.1452975724
C 13 0.0102963498
C 14 0.1464914481
O 15 -0.4754618583
C 16 0.0028866937
C 17 0.0068828087
C 18 0.0068828087
C 19 0.1686961755
C 20 0.0374740674
C 21 -0.0016513334
C 22 0.2055253782
C 23 0.0374925246
C 24 0.0374925246
C 25 0.0511645675
C 26 0.0031317342
C 27 0.0031317342
C 28 0.0002020558
BOND ANGLES
11 8 10 Car Car Car 120.436
8 10 6 Car Car Car 120.254
4 20 16 Car Car Car 119.530
20 16 21 Car Car Car 119.610
28 27 23 Car Car Car 120.009
27 23 12 Car Car Car 119.777
10 8 11 Car Car Car 120.436
8 11 5 Car Car Car 119.310
16 20 4 Car Car Car 119.530
20 4 7 Car Car Car 119.961
23 27 28 Car Car Car 120.009
27 28 26 Car Car Car 119.633
TORSION ANGLES
5 2 1 14 180.000
5 2 1 17 0.026
5 2 1 18 179.974
6 2 1 14 180.000
6 2 1 17 179.974
6 2 1 18 0.026
12 3 4 7 179.974
12 3 4 20 0.026
3 4 7 13 179.974
20 4 7 13 0.026
11 5 2 1 179.974
11 5 2 6 0.026
10 6 2 1 179.974
10 6 2 5 0.026
4 7 13 19 179.974
4 7 13 21 0.026
15 8 10 6 179.974
11 8 10 6 0.026
19 9 14 1 179.974
8 10 6 2 0.026
8 11 5 2 0.026
23 12 3 4 0.026
24 12 3 4 179.974
7 13 19 9 179.974
21 13 19 9 0.026
9 14 1 2 180.000
9 14 1 17 179.974
9 14 1 18 0.026
22 15 8 10 0.026
22 15 8 11 179.974
20 16 21 13 0.026
13 19 9 14 0.026
4 20 16 21 0.026
16 21 13 7 0.026
16 21 13 19 179.974
25 22 15 8 0.026
27 23 12 3 179.974
27 23 12 24 0.026
26 24 12 3 179.974
26 24 12 23 0.026
28 26 24 12 0.026
28 27 23 12 0.026
27 28 26 24 0.026
10 8 11 5 0.026
15 8 11 5 179.974
16 20 4 3 179.974
16 20 4 7 0.026
23 27 28 26 0.026
CHIRAL ATOMS
C 1 is chiral: counterclockwise
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