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Fenamiphos |
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ID: API-5077 CAS:22224-92-6 Supplier:APIchem SMILES:S(c1c(cc(OP(=O)(OCC)NC(C)C)cc1)C)C ChemMol.com FORMULA: C13H22NO3PS
MASS: 303.3574
EXACT MASS: 303.1058012
INTERATOMIC DISTANCES
S 1 P 2 O 3 O 4 O 5 N 6
------------------------------------------------------------------
S 1 0.0000
P 2 4.5826 0.0000
O 3 4.0000 1.0001 0.0000
O 4 5.3785 1.0000 1.4142 0.0000
O 5 3.8823 1.0000 1.4143 2.0000 0.0000
N 6 5.2915 1.0000 2.0000 1.4142 1.4142 0.0000
C 7 6.2450 1.7320 2.6458 1.5060 2.3941 1.0000
C 8 7.0000 2.6457 3.6056 2.5036 3.1196 1.7320
C 9 6.5574 2.0000 2.6458 1.2393 2.9093 1.7320
C 10 3.0000 1.7321 1.0000 2.3942 1.5060 2.6458
C 11 1.7320 3.4641 2.6457 4.0576 3.0881 4.3589
C 12 2.6457 2.6458 1.7320 3.1196 2.5036 3.6056
C 13 5.4033 1.7320 1.5059 1.0000 2.6457 2.3941
C 14 2.6458 2.0000 1.7321 2.9093 1.2393 2.6457
C 15 1.0000 3.6056 3.0000 4.3813 2.9672 4.3589
C 16 1.7321 3.0000 2.6458 3.8982 2.1918 3.6055
C 17 2.0000 4.3589 3.4641 4.8440 4.0665 5.2915
C 18 6.3343 2.6457 2.5035 1.7320 3.6055 3.1196
C 19 1.0001 5.0000 4.5826 5.8873 4.1641 5.5678
H 20 6.1257 1.8396 2.8292 1.9303 2.2455 0.8743
H 21 5.2100 1.4157 2.3716 2.0194 1.3894 0.6200
H 22 6.6344 2.5121 3.5087 2.6112 2.7933 1.5200
H 23 7.4970 3.2380 4.2101 3.1229 3.6354 2.2901
H 24 7.3996 2.9083 3.8024 2.5468 3.5256 2.1114
H 25 7.1345 2.5558 3.2567 1.8569 3.4082 2.1114
H 26 6.8179 2.3716 2.8292 1.4445 3.3410 2.2901
H 27 5.9890 1.4956 2.0403 0.6266 2.4659 1.5200
H 28 3.1407 2.8292 1.8396 3.1085 2.8890 3.8242
H 29 5.2956 2.1829 1.6768 1.5967 2.9967 2.9526
H 30 4.7844 1.4156 0.9207 1.0813 2.1997 2.2716
H 31 3.1408 1.7732 1.8397 2.7583 0.8248 2.2146
H 32 1.8397 3.3533 3.1408 4.3028 2.4443 3.8242
H 33 2.5557 4.1517 3.1995 4.5234 4.0016 5.1222
H 34 2.3715 4.9340 4.0130 5.3673 4.6776 5.8808
H 35 1.4955 4.6403 3.8121 5.2188 4.2223 5.5256
H 36 6.5692 2.5121 2.6112 1.5200 3.5086 2.7933
H 37 6.9213 3.2380 3.1229 2.2901 4.2100 3.6354
H 38 6.1532 2.9083 2.5468 2.1115 3.8024 3.5257
H 39 1.1766 5.5456 5.0675 6.4057 4.7406 6.1504
H 40 1.6200 5.3371 5.0104 6.2624 4.4442 5.8193
H 41 1.1767 4.4739 4.1339 5.3903 3.6021 4.9941
C 7 C 8 C 9 C 10 C 11 C 12
------------------------------------------------------------------
C 7 0.0000
C 8 1.0000 0.0000
C 9 1.0000 1.7320 0.0000
C 10 3.4641 4.3589 3.6056 0.0000
C 11 5.1962 6.0828 5.2915 1.7320 0.0000
C 12 4.3589 5.2915 4.3589 1.0000 1.0000 0.0000
C 13 2.4495 3.4252 1.8804 2.4494 3.8730 2.8754
C 14 3.6055 4.3589 4.0000 1.0001 2.0000 1.7321
C 15 5.2915 6.0828 5.5678 2.0000 1.0000 1.7320
C 16 4.5826 5.2915 5.0000 1.7321 1.7321 2.0000
C 17 6.0828 7.0000 6.0828 2.6457 1.0000 1.7320
C 18 2.8754 3.7416 2.0179 3.4251 4.7396 3.7416
C 19 6.5574 7.2111 7.0000 3.6056 2.6458 3.4641
H 20 0.6200 0.8743 1.6199 3.5192 5.2330 4.4726
H 21 1.4158 1.8397 2.2900 2.8292 4.4726 3.8242
H 22 1.1766 0.6200 2.1114 4.1517 5.8449 5.1222
H 23 1.6200 0.6201 2.2901 4.9341 6.6487 5.8809
H 24 1.1766 0.6200 1.5200 4.6403 6.3723 5.5256
H 25 1.1766 1.5200 0.6200 4.2047 5.9015 4.9753
H 26 1.6200 2.2901 0.6201 3.8242 5.4428 4.4726
H 27 1.1766 2.1114 0.6200 3.0148 4.6842 3.7437
H 28 4.4726 5.4428 4.3318 1.4157 1.4158 0.6200
H 29 3.0676 4.0451 2.4797 2.4738 3.6708 2.6770
H 30 2.5786 3.5785 2.2321 1.8326 3.2731 2.2808
H 31 3.2069 3.8787 3.7289 1.4158 2.6200 2.2901
H 32 4.8212 5.4428 5.3371 2.2901 2.2901 2.6200
H 33 5.8449 6.7943 5.7523 2.5121 1.1766 1.5200
H 34 6.6486 7.5792 6.6018 3.2379 1.6199 2.2900
H 35 6.3723 7.2530 6.4560 2.9083 1.1766 2.1114
H 36 2.3913 3.1954 1.4637 3.5920 5.0492 4.0509
H 37 3.2678 4.0509 2.3256 4.0361 5.3006 4.3079
H 38 3.4039 4.3080 2.6020 3.3660 4.4947 3.5154
H 39 7.1345 7.8086 7.5433 4.0750 2.9083 3.8121
H 40 6.8179 7.4070 7.3297 4.0601 3.2380 4.0130
H 41 5.9890 6.6177 6.4705 3.1880 2.5121 3.1995
C 13 C 14 C 15 C 16 C 17 C 18
------------------------------------------------------------------
C 13 0.0000
C 14 3.2348 0.0000
C 15 4.4118 1.7321 0.0000
C 16 4.1468 1.0000 1.0001 0.0000
C 17 4.5020 3.0000 1.7320 2.6458 0.0000
C 18 1.0000 4.2341 5.3535 5.1373 5.2661 0.0000
C 19 6.0547 3.0000 1.7321 2.0000 3.0000 7.0228
H 20 2.9209 3.4849 5.2100 4.4186 6.1647 3.4458
H 21 2.9806 2.6008 4.3318 3.4849 5.4428 3.7360
H 22 3.5920 4.0203 5.7523 4.9081 6.7943 4.0509
H 23 4.0361 4.8708 6.6019 5.7745 7.5792 4.3080
H 24 3.3660 4.7545 6.4560 5.7166 7.2530 3.5154
H 25 2.4633 4.5475 6.1504 5.5456 6.7008 2.4462
H 26 1.7357 4.3433 5.8193 5.3371 6.1648 1.5730
H 27 1.3314 3.4769 4.9942 4.4739 5.4651 1.7113
H 28 2.6692 2.2901 2.2900 2.6200 1.8397 3.4326
H 29 0.6200 3.3736 4.3285 4.2058 4.1859 1.0812
H 30 0.6200 2.6506 3.7921 3.5407 3.9442 1.5967
H 31 3.2683 0.6200 2.2901 1.4158 3.6200 4.2598
H 32 4.6463 1.4158 1.4158 0.6200 3.1408 5.6443
H 33 4.0798 3.0634 2.1114 2.9083 0.6200 4.7821
H 34 4.9536 3.6200 2.2900 3.2380 0.6200 5.6570
H 35 4.9658 3.0634 1.5200 2.5121 0.6200 5.7761
H 36 1.1766 4.2987 5.5741 5.2500 5.6570 0.6200
H 37 1.6200 4.8539 5.9469 5.7531 5.7762 0.6201
H 38 1.1766 4.2599 5.1979 5.0981 4.9224 0.6201
H 39 6.5125 3.5505 2.1114 2.5558 3.0634 7.4628
H 40 6.5032 3.3533 2.2901 2.3716 3.6200 7.4850
H 41 5.6281 2.4825 1.5201 1.4956 3.0634 6.6118
C 19 H 20 H 21 H 22 H 23 H 24
------------------------------------------------------------------
C 19 0.0000
H 20 6.3470 0.0000
H 21 5.3763 1.0000 0.0000
H 22 6.7780 0.6950 1.4245 0.0000
H 23 7.6540 1.4158 2.2901 0.8768 0.0000
H 24 7.6699 1.3470 2.3470 1.2399 0.8769 0.0000
H 25 7.5433 1.7345 2.5889 2.0379 1.9721 1.1120
H 26 7.3297 2.2400 2.8736 2.7145 2.8060 1.9721
H 27 6.4705 1.7345 2.1342 2.3520 2.7145 2.0379
H 28 4.0130 4.6666 4.1252 5.3410 6.0493 5.6116
H 29 6.0254 3.5265 3.5162 4.2032 4.6560 3.9784
H 30 5.4367 2.9474 2.7961 3.6406 4.1985 3.6230
H 31 3.3533 3.0074 2.0699 3.4939 4.3589 4.3186
H 32 1.7732 4.5826 3.6055 5.0048 5.8809 5.9135
H 33 3.5505 5.9861 5.3410 6.6404 7.3897 7.0000
H 34 3.3533 6.7522 6.0492 7.3896 8.1644 7.8134
H 35 2.4825 6.3987 5.6116 7.0000 7.8135 7.5485
H 36 7.1924 2.9900 3.4123 3.5526 3.7417 2.9272
H 37 7.6272 3.8665 4.2553 4.4260 4.5792 3.7416
H 38 6.9050 3.9467 4.1280 4.5792 4.8873 4.1130
H 39 0.6200 6.9416 5.9776 7.3846 8.2598 8.2575
H 40 0.6200 6.5574 5.5678 6.9383 7.8144 7.8967
H 41 0.6200 5.7578 4.7797 6.1741 7.0507 7.0878
H 25 H 26 H 27 H 28 H 29 H 30
------------------------------------------------------------------
H 25 0.0000
H 26 0.8769 0.0000
H 27 1.2399 0.8768 0.0000
H 28 4.9516 4.3589 3.7121 0.0000
H 29 3.0446 2.2652 1.9485 2.3514 0.0000
H 30 2.8466 2.2256 1.6218 2.1338 0.7970 0.0000
H 31 4.2330 4.1416 3.2649 2.8059 3.5151 2.7399
H 32 5.8513 5.7217 4.8477 3.2400 4.7513 4.0539
H 33 6.3723 5.7817 5.1324 1.4245 3.7101 3.5575
H 34 7.2216 6.6486 5.9822 2.2901 4.5864 4.4231
H 35 7.0686 6.5840 5.8449 2.3470 4.6954 4.3848
H 36 1.8409 0.9641 1.2903 3.8180 1.5200 1.7880
H 37 2.6337 1.7735 2.1563 3.9592 1.6309 2.2128
H 38 3.0575 2.1883 2.2274 3.1235 0.8924 1.6343
H 39 8.0976 7.8502 7.0000 4.3170 6.4397 5.8926
H 40 7.8502 7.6953 6.8258 4.5801 6.5139 5.8903
H 41 7.0000 6.8259 5.9585 3.7870 5.6488 5.0162
H 31 H 32 H 33 H 34 H 35 H 36
------------------------------------------------------------------
H 31 0.0000
H 32 1.6200 0.0000
H 33 3.6727 3.4624 0.0000
H 34 4.2400 3.7058 0.8768 0.0000
H 35 3.6727 2.9170 1.2399 0.8768 0.0000
H 36 4.2341 5.7135 5.2095 6.0861 6.1346 0.0000
H 37 4.8763 6.2634 5.2662 6.1347 6.3059 0.8768
H 38 4.3742 5.6428 4.4008 5.2661 5.4646 1.2400
H 39 3.9390 2.3825 3.6571 3.3110 2.4825 7.6661
H 40 3.6200 2.0000 4.1684 3.9665 3.0986 7.6192
H 41 2.7824 1.1752 3.5505 3.5064 2.6328 6.7424
H 37 H 38 H 39 H 40 H 41
-------------------------------------------------------
H 37 0.0000
H 38 0.8769 0.0000
H 39 8.0580 7.3066 0.0000
H 40 8.0961 7.4006 0.8768 0.0000
H 41 7.2240 6.5376 1.2399 0.8768 0.0000
ATOMIC CHARGES
S 1 -0.1283250578
P 2 0.4618234858
O 3 -0.4127669298
O 4 -0.2872439175
O 5 -0.2281068305
N 6 -0.2094643063
C 7 0.0130148504
C 8 -0.0494228010
C 9 -0.0494228010
C 10 0.1314451394
C 11 -0.0336008927
C 12 -0.0154692836
C 13 0.0563017697
C 14 -0.0183682079
C 15 0.0107461164
C 16 -0.0446082392
C 17 -0.0385525802
C 18 -0.0409991605
C 19 -0.0134483106
H 20 0.0460137148
H 21 0.1348751040
H 22 0.0244689153
H 23 0.0244689153
H 24 0.0244689153
H 25 0.0244689153
H 26 0.0244689153
H 27 0.0244689153
H 28 0.0657104108
H 29 0.0562739945
H 30 0.0562739945
H 31 0.0654458155
H 32 0.0629733287
H 33 0.0277880603
H 34 0.0277880603
H 35 0.0277880603
H 36 0.0251852727
H 37 0.0251852727
H 38 0.0251852727
H 39 0.0343893678
H 40 0.0343893678
H 41 0.0343893678
BOND ANGLES
19 1 15 C3 S3 Car 119.998
1 15 16 S3 Car Car 119.998
15 1 19 Car S3 C3 119.998
1 19 39 S3 C3 HC 89.996
1 19 40 S3 C3 HC 179.974
1 19 41 S3 C3 HC 90.004
4 2 3 O3 P O3 89.997
2 3 10 P O3 Car 119.998
5 2 3 O2 P O3 90.003
2 3 10 P O3 Car 119.998
6 2 3 N3 P O3 179.974
2 3 10 P O3 Car 119.998
3 2 4 O3 P O3 89.997
2 4 13 P O3 C3 120.001
5 2 4 O2 P O3 179.974
2 4 13 P O3 C3 120.001
6 2 4 N3 P O3 90.000
2 4 13 P O3 C3 120.001
3 2 5 O3 P O2 90.003
4 2 5 O3 P O2 179.974
6 2 5 N3 P O2 90.000
3 2 6 O3 P N3 179.974
2 6 7 P N3 C3 120.001
2 6 21 P N3 HC 119.998
4 2 6 O3 P N3 90.000
2 6 7 P N3 C3 120.001
2 6 21 P N3 HC 119.998
5 2 6 O2 P N3 90.000
2 6 7 P N3 C3 120.001
2 6 21 P N3 HC 119.998
21 6 7 HC N3 C3 120.002
6 7 8 N3 C3 C3 120.001
6 7 9 N3 C3 C3 120.001
6 7 20 N3 C3 HC 59.998
7 6 21 C3 N3 HC 120.002
9 7 8 C3 C3 C3 119.999
7 8 22 C3 C3 HC 90.001
7 8 23 C3 C3 HC 179.974
7 8 24 C3 C3 HC 89.999
20 7 8 HC C3 C3 60.002
7 8 22 C3 C3 HC 90.001
7 8 23 C3 C3 HC 179.974
7 8 24 C3 C3 HC 89.999
8 7 9 C3 C3 C3 119.999
7 9 25 C3 C3 HC 89.999
7 9 26 C3 C3 HC 179.974
7 9 27 C3 C3 HC 90.001
20 7 9 HC C3 C3 179.974
7 9 25 C3 C3 HC 89.999
7 9 26 C3 C3 HC 179.974
7 9 27 C3 C3 HC 90.001
8 7 20 C3 C3 HC 60.002
9 7 20 C3 C3 HC 179.974
23 8 22 HC C3 HC 89.995
24 8 22 HC C3 HC 179.974
22 8 23 HC C3 HC 89.995
24 8 23 HC C3 HC 90.005
22 8 24 HC C3 HC 179.974
23 8 24 HC C3 HC 90.005
26 9 25 HC C3 HC 90.005
27 9 25 HC C3 HC 179.974
25 9 26 HC C3 HC 90.005
27 9 26 HC C3 HC 89.995
25 9 27 HC C3 HC 179.974
26 9 27 HC C3 HC 89.995
14 10 12 Car Car Car 120.001
10 12 28 Car Car HC 119.998
12 10 14 Car Car Car 120.001
10 14 16 Car Car Car 119.998
10 14 31 Car Car HC 120.000
15 11 12 Car Car Car 120.001
11 12 28 Car Car HC 120.002
17 11 12 C3 Car Car 120.001
11 12 28 Car Car HC 120.002
12 11 15 Car Car Car 120.001
11 15 16 Car Car Car 120.001
17 11 15 C3 Car Car 119.999
11 15 16 Car Car Car 120.001
12 11 17 Car Car C3 120.001
11 17 33 Car C3 HC 90.001
11 17 34 Car C3 HC 179.974
11 17 35 Car C3 HC 89.999
15 11 17 Car Car C3 119.999
11 17 33 Car C3 HC 90.001
11 17 34 Car C3 HC 179.974
11 17 35 Car C3 HC 89.999
29 13 18 HC C3 C3 79.995
13 18 36 C3 C3 HC 90.001
13 18 37 C3 C3 HC 179.974
13 18 38 C3 C3 HC 90.004
30 13 18 HC C3 C3 159.993
13 18 36 C3 C3 HC 90.001
13 18 37 C3 C3 HC 179.974
13 18 38 C3 C3 HC 90.004
18 13 29 C3 C3 HC 79.995
30 13 29 HC C3 HC 79.998
18 13 30 C3 C3 HC 159.993
29 13 30 HC C3 HC 79.998
31 14 16 HC Car Car 120.002
14 16 32 Car Car HC 120.002
16 14 31 Car Car HC 120.002
34 17 33 HC C3 HC 90.000
35 17 33 HC C3 HC 179.974
33 17 34 HC C3 HC 90.000
35 17 34 HC C3 HC 90.000
33 17 35 HC C3 HC 179.974
34 17 35 HC C3 HC 90.000
37 18 36 HC C3 HC 89.995
38 18 36 HC C3 HC 179.974
36 18 37 HC C3 HC 89.995
38 18 37 HC C3 HC 90.000
36 18 38 HC C3 HC 179.974
37 18 38 HC C3 HC 90.000
40 19 39 HC C3 HC 90.000
41 19 39 HC C3 HC 179.974
39 19 40 HC C3 HC 90.000
41 19 40 HC C3 HC 90.000
39 19 41 HC C3 HC 179.974
40 19 41 HC C3 HC 90.000
TORSION ANGLES
19 1 15 11 179.974
19 1 15 16 0.026
15 1 19 39 179.974
15 1 19 40 179.974
15 1 19 41 0.026
4 2 3 10 179.974
5 2 3 10 0.026
6 2 3 10 179.974
3 2 4 13 0.026
5 2 4 13 179.974
6 2 4 13 179.974
3 2 6 7 0.026
3 2 6 21 179.974
4 2 6 7 0.026
4 2 6 21 179.974
5 2 6 7 179.974
5 2 6 21 0.026
2 3 10 12 179.974
2 3 10 14 0.026
2 4 13 18 179.974
2 4 13 29 0.026
2 4 13 30 0.026
2 6 7 8 179.974
2 6 7 9 0.026
2 6 7 20 179.974
21 6 7 8 0.026
21 6 7 9 179.974
21 6 7 20 0.026
6 7 8 22 0.026
6 7 8 23 0.026
6 7 8 24 179.974
9 7 8 22 179.974
9 7 8 23 179.974
9 7 8 24 0.026
20 7 8 22 0.026
20 7 8 23 0.026
20 7 8 24 179.974
6 7 9 25 179.974
6 7 9 26 0.026
6 7 9 27 0.026
8 7 9 25 0.026
8 7 9 26 179.974
8 7 9 27 179.974
20 7 9 25 179.974
20 7 9 26 0.026
20 7 9 27 0.026
3 10 12 11 179.974
3 10 12 28 0.026
14 10 12 11 0.026
14 10 12 28 179.974
3 10 14 16 179.974
3 10 14 31 0.026
12 10 14 16 0.026
12 10 14 31 179.974
15 11 12 10 0.026
15 11 12 28 179.974
17 11 12 10 179.974
17 11 12 28 0.026
12 11 15 1 179.974
12 11 15 16 0.026
17 11 15 1 0.026
17 11 15 16 179.974
12 11 17 33 0.026
12 11 17 34 179.974
12 11 17 35 179.974
15 11 17 33 179.974
15 11 17 34 0.026
15 11 17 35 0.026
4 13 18 36 0.026
4 13 18 37 0.026
4 13 18 38 179.974
29 13 18 36 179.974
29 13 18 37 179.974
29 13 18 38 0.026
30 13 18 36 179.974
30 13 18 37 179.974
30 13 18 38 0.026
10 14 16 15 0.026
10 14 16 32 179.974
31 14 16 15 179.974
31 14 16 32 0.026
1 15 16 14 179.974
1 15 16 32 0.026
11 15 16 14 0.026
11 15 16 32 179.974
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