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2-Naphthylamine-6-sulfonmethylamide |
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ID: API-28767 CAS:104295-55-8 Supplier:APIchem SMILES:S(=O)(=O)(NC)c1cc2c(cc1)cc(N)cc2 ChemMol.com FORMULA: C11H12N2O2S
MASS: 236.2902
EXACT MASS: 236.0619486
INTERATOMIC DISTANCES
S 1 O 2 O 3 N 4 N 5 C 6
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S 1 0.0000
O 2 1.0001 0.0000
O 3 1.0000 2.0000 0.0000
N 4 1.0000 1.4143 1.4142 0.0000
N 5 5.6381 5.8774 5.5706 6.6277 0.0000
C 6 2.6458 3.1197 2.5036 3.6055 3.0693 0.0000
C 7 1.0001 1.4143 1.4142 2.0000 4.6528 1.7320
C 8 3.0000 3.1623 3.1623 4.0000 2.7152 1.0000
C 9 1.7321 2.3942 1.5060 2.6458 4.0693 1.0000
C 10 1.7321 1.5060 2.3942 2.6458 4.4272 2.0000
C 11 2.6458 2.5036 3.1196 3.6056 3.5302 1.7320
C 12 4.0416 4.1596 4.1673 5.0416 1.7701 1.7761
C 13 3.4923 4.0924 3.1055 4.3829 2.7151 1.0416
C 14 4.6536 4.9417 4.5708 5.6387 1.0000 2.0693
C 15 4.4241 4.9134 4.1237 5.3544 1.7702 1.8001
C 16 1.7320 1.5060 2.3941 1.0000 7.2812 4.3589
H 17 1.8397 2.6816 1.2564 2.6009 4.4106 1.4158
H 18 1.8397 1.2563 2.6815 2.6008 4.9377 2.6200
H 19 3.1408 2.8387 3.6973 4.0601 3.5800 2.2901
H 20 4.3809 4.3679 4.6157 5.3742 1.8858 2.3301
H 21 3.5458 4.2652 2.9924 4.3536 3.2148 1.4559
H 22 4.9367 5.4787 4.5527 5.8381 1.8859 2.3594
H 23 1.4158 2.0195 1.3894 0.6200 6.8877 3.8242
H 24 1.5200 0.9790 2.3796 1.1766 6.8476 4.0203
H 25 2.2900 1.8543 3.0083 1.6199 7.7237 4.8707
H 26 2.1114 2.0847 2.5632 1.1766 7.7402 4.7545
H 27 6.0489 6.3574 5.8958 7.0250 0.6200 3.4254
H 28 5.8870 6.0280 5.9142 6.8856 0.6200 3.4179
C 7 C 8 C 9 C 10 C 11 C 12
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C 7 0.0000
C 8 2.0000 0.0000
C 9 1.0000 1.7320 0.0000
C 10 1.0000 1.7320 1.7320 0.0000
C 11 1.7320 1.0000 2.0000 1.0000 0.0000
C 12 3.0416 1.0417 2.6903 2.6799 1.7603 0.0000
C 13 2.6799 1.7760 1.7603 3.0415 2.6902 2.0693
C 14 3.6766 1.8001 3.0693 3.5321 2.7087 1.0416
C 15 3.5321 2.0693 2.7087 3.6766 3.0693 1.8001
C 16 2.6458 4.5826 3.4641 3.0000 4.0000 5.6064
H 17 1.4158 2.2901 0.6200 2.2901 2.6200 3.1851
H 18 1.4158 2.2901 2.2901 0.6201 1.4158 3.1710
H 19 2.2901 1.4158 2.6200 1.4158 0.6200 1.8548
H 20 3.3913 1.4559 3.1812 2.8621 1.8711 0.6200
H 21 2.8620 2.3300 1.8710 3.3912 3.1811 2.6893
H 22 4.0814 2.6893 3.2062 4.2806 3.6893 2.3594
H 23 2.3716 4.3433 2.8292 3.1408 4.0601 5.3801
H 24 2.2884 4.1338 3.1995 2.4825 3.4769 5.1373
H 25 3.1408 5.0104 4.0130 3.3533 4.3433 6.0136
H 26 3.0874 5.0675 3.8121 3.5505 4.5475 6.1024
H 27 5.0819 3.2095 4.4154 4.9389 4.0781 2.3301
H 28 4.8890 2.8972 4.4087 4.5402 3.5860 1.8698
C 13 C 14 C 15 C 16 H 17 H 18
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C 13 0.0000
C 14 1.8000 0.0000
C 15 1.0416 1.0416 0.0000
C 16 5.2242 6.3159 6.1488 0.0000
H 17 1.8548 3.4191 2.8837 3.5191 0.0000
H 18 3.6616 4.0793 4.2811 2.7430 2.8059 0.0000
H 19 3.1850 2.8837 3.4191 4.3433 3.2400 1.6200
H 20 2.6893 1.4559 2.3594 5.8535 3.7143 3.2669
H 21 0.6200 2.3593 1.4558 5.2578 1.7531 4.0042
H 22 1.4558 1.4559 0.6201 6.6680 3.2971 4.8891
H 23 4.4912 5.8894 5.5017 1.4158 2.6458 3.1644
H 24 4.9472 5.9027 5.8204 0.6201 3.3596 2.1649
H 25 5.7713 6.7761 6.6691 0.6200 4.1077 2.9999
H 26 5.5568 6.7608 6.5198 0.6200 3.7750 3.3362
H 27 2.8971 1.4157 1.8698 7.7253 4.6913 5.4720
H 28 3.2095 1.4158 2.3302 7.4751 4.8062 5.0008
H 19 H 20 H 21 H 22 H 23 H 24
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H 19 0.0000
H 20 1.7531 0.0000
H 21 3.7142 3.3093 0.0000
H 22 4.0334 2.8788 1.6658 0.0000
H 23 4.5539 5.7601 4.3757 5.9410 0.0000
H 24 3.7798 5.3444 5.0495 6.3667 1.7478 0.0000
H 25 4.6200 6.2132 5.8341 7.2042 2.0033 0.8768
H 26 4.9204 6.3822 5.5282 7.0113 1.3126 1.2400
H 27 4.1674 2.4984 3.3139 1.7749 7.2446 7.3179
H 28 3.5278 1.7749 3.7460 2.4984 7.1899 7.0062
H 25 H 26 H 27 H 28
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H 25 0.0000
H 26 0.8768 0.0000
H 27 8.1908 8.1595 0.0000
H 28 7.8822 7.9647 1.0739 0.0000
ATOMIC CHARGES
S 1 0.0581836718
O 2 -0.1530581446
O 3 -0.1530581446
N 4 -0.1930188331
N 5 -0.3579440990
C 6 -0.0159209309
C 7 0.1058255500
C 8 -0.0160363749
C 9 -0.0276326344
C 10 -0.0347602306
C 11 -0.0521246765
C 12 -0.0333282611
C 13 -0.0522390031
C 14 0.0251348232
C 15 -0.0404566528
C 16 0.0058672996
H 17 0.0643047079
H 18 0.0637158781
H 19 0.0624186124
H 20 0.0641951336
H 21 0.0624194517
H 22 0.0636065742
H 23 0.1476744403
H 24 0.0405286739
H 25 0.0405286739
H 26 0.0405286739
H 27 0.1423229105
H 28 0.1423229105
BOND ANGLES
3 1 2 O2 So2 O2 179.974
4 1 2 N3 So2 O2 90.003
7 1 2 Car So2 O2 90.000
2 1 3 O2 So2 O2 179.974
4 1 3 N3 So2 O2 90.000
7 1 3 Car So2 O2 89.997
2 1 4 O2 So2 N3 90.003
1 4 16 So2 N3 C3 119.999
1 4 23 So2 N3 HC 120.001
3 1 4 O2 So2 N3 90.000
1 4 16 So2 N3 C3 119.999
1 4 23 So2 N3 HC 120.001
7 1 4 Car So2 N3 179.974
1 4 16 So2 N3 C3 119.999
1 4 23 So2 N3 HC 120.001
2 1 7 O2 So2 Car 90.000
1 7 9 So2 Car Car 120.001
1 7 10 So2 Car Car 119.998
3 1 7 O2 So2 Car 89.997
1 7 9 So2 Car Car 120.001
1 7 10 So2 Car Car 119.998
4 1 7 N3 So2 Car 179.974
1 7 9 So2 Car Car 120.001
1 7 10 So2 Car Car 119.998
23 4 16 HC N3 C3 120.001
4 16 24 N3 C3 HC 90.004
4 16 25 N3 C3 HC 179.974
4 16 26 N3 C3 HC 90.001
16 4 23 C3 N3 HC 120.001
27 5 14 HC Npl Car 119.990
5 14 15 Npl Car Car 120.224
28 5 14 HC Npl Car 120.002
5 14 15 Npl Car Car 120.224
14 5 27 Car Npl HC 119.990
28 5 27 HC Npl HC 120.008
14 5 28 Car Npl HC 120.002
27 5 28 HC Npl HC 120.008
9 6 8 Car Car Car 120.001
6 8 11 Car Car Car 120.001
6 8 12 Car Car Car 120.884
13 6 8 Car Car Car 120.879
6 8 11 Car Car Car 120.001
6 8 12 Car Car Car 120.884
8 6 9 Car Car Car 120.001
6 9 17 Car Car HC 120.001
13 6 9 Car Car Car 119.120
6 9 17 Car Car HC 120.001
8 6 13 Car Car Car 120.879
6 13 15 Car Car Car 119.563
6 13 21 Car Car HC 120.214
9 6 13 Car Car Car 119.120
6 13 15 Car Car Car 119.563
6 13 21 Car Car HC 120.214
10 7 9 Car Car Car 120.001
7 9 17 Car Car HC 120.001
9 7 10 Car Car Car 120.001
7 10 11 Car Car Car 120.001
7 10 18 Car Car HC 119.997
12 8 11 Car Car Car 119.116
8 11 19 Car Car HC 120.001
11 8 12 Car Car Car 119.116
8 12 14 Car Car Car 119.554
8 12 20 Car Car HC 120.218
18 10 11 HC Car Car 120.002
10 11 19 Car Car HC 120.001
11 10 18 Car Car HC 120.002
20 12 14 HC Car Car 120.228
12 14 15 Car Car Car 119.563
14 12 20 Car Car HC 120.228
21 13 15 HC Car Car 120.223
13 15 22 Car Car HC 120.222
15 13 21 Car Car HC 120.223
25 16 24 HC C3 HC 89.995
26 16 24 HC C3 HC 179.974
24 16 25 HC C3 HC 89.995
26 16 25 HC C3 HC 90.000
24 16 26 HC C3 HC 179.974
25 16 26 HC C3 HC 90.000
TORSION ANGLES
2 1 4 16 0.026
2 1 4 23 179.974
3 1 4 16 179.974
3 1 4 23 0.026
7 1 4 16 179.974
7 1 4 23 0.026
2 1 7 9 179.974
2 1 7 10 0.026
3 1 7 9 0.026
3 1 7 10 179.974
4 1 7 9 0.026
4 1 7 10 179.974
1 4 16 24 0.026
1 4 16 25 0.026
1 4 16 26 179.974
23 4 16 24 179.974
23 4 16 25 179.974
23 4 16 26 0.026
27 5 14 12 179.974
27 5 14 15 0.026
28 5 14 12 0.026
28 5 14 15 179.974
9 6 8 11 0.026
9 6 8 12 179.974
13 6 8 11 179.974
13 6 8 12 0.026
8 6 9 7 0.026
8 6 9 17 179.974
13 6 9 7 179.974
13 6 9 17 0.026
8 6 13 15 0.026
8 6 13 21 179.974
9 6 13 15 179.974
9 6 13 21 0.026
1 7 9 6 179.974
1 7 9 17 0.026
10 7 9 6 0.026
10 7 9 17 179.974
1 7 10 11 179.974
1 7 10 18 0.026
9 7 10 11 0.026
9 7 10 18 179.974
6 8 11 10 0.026
6 8 11 19 179.974
12 8 11 10 179.974
12 8 11 19 0.026
6 8 12 14 0.026
6 8 12 20 179.974
11 8 12 14 179.974
11 8 12 20 0.026
7 10 11 8 0.026
7 10 11 19 179.974
18 10 11 8 179.974
18 10 11 19 0.026
8 12 14 5 179.974
8 12 14 15 0.026
20 12 14 5 0.026
20 12 14 15 179.974
6 13 15 14 0.026
6 13 15 22 179.974
21 13 15 14 179.974
21 13 15 22 0.026
5 14 15 13 179.974
5 14 15 22 0.026
12 14 15 13 0.026
12 14 15 22 179.974
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