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(1R)-(-)-(10-Camphorsulfonyl)oxaziridine |
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ID: API-28774 CAS:104372-31-8 Supplier:APIchem SMILES:CC1(C)C2CCC1(CS(=O)(=O)N1CO1)C(=O)C2 ChemMol.com FORMULA: C11H17NO4S
MASS: 259.3220
EXACT MASS: 259.0878290
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 C 5 C 6
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C 1 0.0000
C 2 0.8250 0.0000
C 3 1.3948 0.8249 0.0000
C 4 1.3999 0.8309 1.4955 0.0000
C 5 2.0959 1.3537 1.6719 0.7827 0.0000
C 6 2.8493 2.1035 2.3169 1.4983 0.7548 0.0000
C 7 2.1554 1.5374 2.0330 0.7563 0.4912 0.8682
C 8 2.9449 2.3619 2.8260 1.5626 1.1691 0.8880
S 9 3.5707 2.8817 3.1606 2.1737 1.5375 0.8483
O 10 3.1553 2.3805 2.4897 1.8400 1.0684 0.3758
O 11 4.1115 3.5074 3.8912 2.7249 2.2242 1.6306
N 12 4.2648 3.5200 3.6543 2.8929 2.1730 1.4183
C 13 5.0898 4.3426 4.4467 3.7156 2.9976 2.2429
O 14 4.7362 3.9421 3.9117 3.4330 2.6613 1.9420
C 15 2.3972 2.0173 2.6814 1.2000 1.3082 1.5061
O 16 3.1886 2.8423 3.4920 2.0226 2.0006 1.9297
C 17 1.7958 1.5979 2.3703 0.9216 1.4359 1.9132
C 7 C 8 S 9 O 10 O 11 N 12
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C 7 0.0000
C 8 0.8250 0.0000
S 9 1.4290 0.8250 0.0000
O 10 1.2424 1.1667 0.8250 0.0000
O 11 1.9752 1.1667 0.8250 1.6500 0.0000
N 12 2.1827 1.6500 0.8249 1.1667 1.1667 0.0000
C 13 2.9970 2.4002 1.5937 1.9752 1.5938 0.8251
O 14 2.7933 2.4001 1.5937 1.5937 1.9752 0.8250
C 15 0.8190 0.8615 1.6863 1.8643 1.8900 2.5111
O 16 1.5233 1.0510 1.7165 2.2170 1.5293 2.4798
C 17 1.0568 1.4903 2.2933 2.2890 2.5766 3.1077
C 13 O 14 C 15 O 16 C 17
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C 13 0.0000
O 14 0.8250 0.0000
C 15 3.2556 3.2481 0.0000
O 16 3.0902 3.2920 0.8250 0.0000
C 17 3.8843 3.7931 0.6915 1.4061 0.0000
ATOMIC CHARGES
C 1 0.0004744941
C 2 0.0082293071
C 3 0.0004744941
C 4 0.0077804499
C 5 0.0009178630
C 6 0.0087099609
C 7 0.0751263013
C 8 0.1782550830
S 9 0.0676775892
O 10 -0.1553351321
O 11 -0.1553351321
N 12 -0.0121916952
C 13 0.2930466135
O 14 -0.2378998147
C 15 0.1515608666
O 16 -0.2960276434
C 17 0.0645363946
BOND ANGLES
4 2 3 C3 C3 C3 129.142
7 2 3 C3 C3 C3 115.427
3 2 4 C3 C3 C3 129.142
2 4 5 C3 C3 C3 114.010
2 4 17 C3 C3 C3 131.426
7 2 4 C3 C3 C3 13.715
2 4 5 C3 C3 C3 114.010
2 4 17 C3 C3 C3 131.426
17 4 5 C3 C3 C3 114.565
4 5 6 C3 C3 C3 154.057
3 2 7 C3 C3 C3 115.427
2 7 8 C3 C3 C3 177.470
2 7 15 C3 C3 C2 114.268
4 2 7 C3 C3 C3 13.715
2 7 8 C3 C3 C3 177.470
2 7 15 C3 C3 C2 114.268
15 7 8 C2 C3 C3 63.202
7 8 9 C3 C3 So2 120.001
11 9 10 O2 So2 O2 179.974
12 9 10 Nox So2 O2 90.003
10 9 11 O2 So2 O2 179.974
12 9 11 Nox So2 O2 90.006
10 9 12 O2 So2 Nox 90.003
9 12 13 So2 Nox C3 150.001
9 12 14 So2 Nox O3 150.001
11 9 12 O2 So2 Nox 90.006
9 12 13 So2 Nox C3 150.001
9 12 14 So2 Nox O3 150.001
14 12 13 O3 Nox C3 59.997
12 13 14 Nox C3 O3 59.998
13 12 14 C3 Nox O3 59.997
8 7 15 C3 C3 C2 63.202
7 15 16 C3 C2 O2 135.808
7 15 17 C3 C2 C3 88.380
17 15 16 C3 C2 O2 135.812
16 15 17 O2 C2 C3 135.812
5 4 17 C3 C3 C3 114.565
TORSION ANGLES
1 2 4 5 179.974
1 2 4 17 0.026
3 2 4 5 0.026
3 2 4 17 179.974
7 2 4 5 0.026
7 2 4 17 179.974
2 4 5 6 179.974
17 4 5 6 0.026
4 5 6 7 0.026
5 6 7 2 0.026
5 6 7 8 179.974
5 6 7 15 179.974
1 2 7 6 179.974
1 2 7 8 0.026
1 2 7 15 0.026
3 2 7 6 0.026
3 2 7 8 179.974
3 2 7 15 179.974
4 2 7 6 179.974
4 2 7 8 0.026
4 2 7 15 0.026
6 7 8 9 0.026
2 7 8 9 179.974
15 7 8 9 179.974
7 8 9 10 0.026
7 8 9 11 179.974
7 8 9 12 0.026
8 9 12 13 179.974
8 9 12 14 0.026
10 9 12 13 179.974
10 9 12 14 0.026
11 9 12 13 0.026
11 9 12 14 179.974
9 12 13 14 179.974
14 12 13 14 0.026
12 13 14 12 0.026
9 12 14 13 179.974
13 12 14 13 0.026
6 7 15 16 0.026
6 7 15 17 179.974
2 7 15 16 179.974
2 7 15 17 0.026
8 7 15 16 0.026
8 7 15 17 179.974
7 15 17 4 0.026
16 15 17 4 179.974
2 4 17 15 179.974
5 4 17 15 0.026
CHIRAL ATOMS
C 4 is chiral: counterclockwise
C 7 is chiral: counterclockwise
N 12 is chiral: counterclockwise
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