Version2.4
2021-04-27T08:58:49Z
10.1021/jm300687e
Gaussian16
RevisionB.01
RPOIRIER
13-Sep-2018
#N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CC(C)[C@@H](C(=O)[O-])Sc1nnc(s1)N C41017601
RHF
6-31G(d)
(6D,7F)
CC(C)[C@@H](C(=O)[O-])Sc1nnc(s1)N
C01[X(C7H10N3O2S2)]
66
C1
238
CC([C@@H](C(=O)[O-])Sc1nnc(s1)N)C
CC([C@@H](C(=O)[O-])Sc1nnc(s1)N)C
CC(C)[C@H](Sc1sc(N)nn1)C([O-])=O
InChIKey=DVWMYGFJYJERAG-BYPYZUCNSA-M
InChI=1S/C7H11N3O2S2/c1-3(2)4(5(11)12)13-7-10-9-6(8)14-7/h3-4H,1-2H3,(H2,8,9)(H,11,12)/p-1/t4-/m0/s1
InChI=1/C7H11N3O2S2/c1-3(2)4(5(11)12)13-7-10-9-6(8)14-7/h3-4H,1-2H3,(H2,8,9)(H,11,12)/p-1/t4-/m0/s1/fC7H10N3O2S2/h8H2/q-1
CC(C)[C@@H](C(=O)[O-])Sc1nnc(s1)N
C01[X(C7H10N3O2S2)]
66
C01
238
CC([C@@H](C(=O)[O-])Sc1nnc(s1)N)C
CC([C@@H]([C]([O])=O)Sc1nnc(s1)N)C
CC(C)[C@H](Sc1sc(N)nn1)C([O])=O
InChIKey=YFRACSISCCYRNP-BYPYZUCNSA-N
InChI=1S/C7H10N3O2S2/c1-3(2)4(5(11)12)13-7-10-9-6(8)14-7/h3-4H,1-2H3,(H2,8,9)/t4-/m0/s1
InChI=1/C7H10N3O2S2/c1-3(2)4(5(11)12)13-7-10-9-6(8)14-7/h3-4H,1-2H3,(H2,8,9)/t4-/m0/s1/f/h8H2
1128.0952496962
-1378.9891912
1-A
4193.7692
61
177
238
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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
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11.43114
12.8870 -4.0268 1.9898
13.6473
|XX|YY|ZZ|XY|XZ|YZ|
-132.4190 -115.8405 -111.0763 26.1669 -13.6767 -0.4102
|XX|YY|ZZ|XY|XZ|YZ|
-12.6404 3.9381 8.7023 26.1669 -13.6767 -0.4102
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
221.1990 -3.6098 7.7110 36.9833 -41.4718 -3.6763 28.2570 -4.4287 -2.5483 -6.7511
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
26.4987 51.6737 59.8818 70.2782 99.2739 151.6990 167.5468 206.1462 220.7467 254.1738 260.5259 278.1945 284.5007 376.6306 380.9260 402.3036 420.7545 453.3270 472.8276 497.2514 622.5212 651.1361 669.7511 741.7704 763.2032 801.3238 818.5986 865.7577 877.6985 946.9779 981.8329 1018.2223 1040.8371 1049.8831 1135.9196 1169.5478 1220.6343 1238.3427 1282.6798 1297.6875 1330.5150 1392.9574 1463.0521 1488.2472 1507.5561 1525.3948 1555.7950 1572.9966 1632.7207 1639.4472 1648.0639 1659.0033 1691.2975 1770.3719 1828.4602 1918.2686 3180.7397 3191.3745 3221.9709 3237.4913 3253.8021 3283.7941 3317.0663 3321.6687 3763.2584 3864.1778
9.0437 4.1037 4.2443 11.4374 5.2345 6.5539 7.8567 5.5695 1.3332 2.4626 2.7349 1.1503 1.4111 3.5509 3.8531 5.9108 3.6797 3.3455 5.5301 5.9261 5.6534 10.4228 11.7036 6.2866 6.2087 9.3114 8.1394 3.1392 1.6075 3.5808 4.2165 1.2146 1.8639 1.6527 11.9334 3.4935 1.9169 1.8486 2.6816 1.6129 1.4610 1.3266 3.0792 1.3407 1.7741 3.7651 1.2926 1.2358 1.0551 1.0463 1.0605 1.0494 10.6972 2.9411 1.5268 11.3354 1.0462 1.0466 1.0901 1.0931 1.0910 1.1022 1.0956 1.0871 1.0491 1.0974
0.0037 0.0065 0.0090 0.0333 0.0304 0.0889 0.1299 0.1394 0.0383 0.0937 0.1094 0.0524 0.0673 0.2968 0.3294 0.5636 0.3838 0.4051 0.7284 0.8633 1.2908 2.6036 3.0931 2.0380 2.1307 3.5227 3.2135 1.3863 0.7296 1.8920 2.3949 0.7419 1.1897 1.0733 9.0721 2.8154 1.6827 1.6702 2.5994 1.6003 1.5238 1.5166 3.8834 1.7495 2.3756 5.1617 1.8434 1.8015 1.6572 1.6570 1.6971 1.7018 18.0285 5.4310 3.0074 24.5758 6.2360 6.2803 6.6672 6.7505 6.8054 7.0025 7.1026 7.0670 8.7538 9.6542
2.8287 4.8565 1.9334 2.4062 1.6224 1.8611 10.1046 7.7565 0.8701 18.8859 7.5281 34.5422 9.3207 4.4417 1.4747 10.9433 2.8538 3.1878 5.4064 3.5353 34.5533 7.5103 5.2221 7.1482 101.0748 59.7459 23.7088 20.6783 259.2692 6.3679 49.3756 5.3598 10.6547 6.6726 121.8834 40.4836 0.5424 1.6281 11.2132 6.9739 16.4848 22.2464 111.7267 10.9903 161.0374 295.1639 1.3107 8.0048 1.1993 2.9441 1.5415 8.0395 120.4421 69.5321 147.8363 553.3940 24.9405 112.3917 5.6739 28.9391 97.4860 39.1479 14.6547 9.3964 22.6608 22.6419
1.8334 1.1827 1.6078 0.8472 0.4783 0.2804 1.5123 0.3798 1.4681 4.0446 1.2225 1.3098 1.7251 1.7774 1.2808 0.6950 1.0306 0.1980 1.8192 4.5666 0.6923 1.1383 3.7196 10.6168 7.2654 8.2830 3.9479 17.0576 6.4503 1.8412 3.8619 3.7350 14.1340 6.4417 6.2684 5.2252 5.5353 2.5347 17.4009 4.6618 5.7746 3.1570 3.2944 13.6296 6.6378 5.2836 1.1119 1.7508 15.0598 15.8196 26.9731 3.0604 78.7612 55.3612 42.0673 1.2208 12.3442 221.4100 97.5596 28.9133 57.8101 32.6632 56.3649 23.5476 175.5563 83.9104
0.7429 0.7472 0.7205 0.7293 0.6388 0.6685 0.3577 0.6976 0.2685 0.1606 0.3245 0.6181 0.7425 0.5824 0.7351 0.6153 0.5422 0.2987 0.1837 0.2424 0.7195 0.6703 0.4735 0.1409 0.4771 0.3854 0.6207 0.1530 0.7340 0.5689 0.2100 0.6134 0.5200 0.6354 0.2364 0.4620 0.7137 0.2237 0.3354 0.7434 0.7499 0.3256 0.3224 0.6092 0.7257 0.4875 0.7431 0.7055 0.7362 0.7404 0.7488 0.7490 0.3151 0.2484 0.3166 0.7444 0.1216 0.1343 0.5162 0.2268 0.7482 0.5668 0.4609 0.3554 0.1530 0.7485
0.8525 0.8553 0.8376 0.8435 0.7796 0.8013 0.5270 0.8219 0.4233 0.2767 0.4900 0.7640 0.8522 0.7361 0.8473 0.7619 0.7032 0.4600 0.3103 0.3903 0.8369 0.8026 0.6427 0.2471 0.6460 0.5564 0.7660 0.2654 0.8466 0.7252 0.3471 0.7604 0.6842 0.7771 0.3824 0.6320 0.8329 0.3657 0.5023 0.8528 0.8571 0.4912 0.4876 0.7572 0.8410 0.6555 0.8526 0.8274 0.8480 0.8509 0.8563 0.8565 0.4792 0.3980 0.4809 0.8535 0.2168 0.2369 0.6809 0.3698 0.8559 0.7235 0.6309 0.5245 0.2654 0.8562
298.150
1.00000
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24
6 6 6 6 1 6 8 8 16 6 7 7 6 16 7 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 15.99491 31.97207 12.00000 14.00307 14.00307 12.00000 31.97207 14.00307 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
1577.65870 6200.93860 6841.54209
0.99973 0.02192 -0.00799 -0.02219 0.99916 -0.03452 0.00722 0.03468 0.99937
1
0.05490 0.01397 0.01266
1.14394 0.29104 0.26379
38.13 74.35 86.16 101.11 142.83 218.26 241.06 296.60 317.61 365.70 374.84 400.26 409.33 541.89 548.07 578.83 605.37 652.24 680.29 715.43 895.67 936.84 963.62 1067.24 1098.08 1152.93 1177.78 1245.63 1262.81 1362.49 1412.64 1464.99 1497.53 1510.55 1634.33 1682.72 1756.22 1781.70 1845.49 1867.08 1914.31 2004.15 2105.01 2141.26 2169.04 2194.70 2238.44 2263.19 2349.12 2358.80 2371.20 2386.94 2433.40 2547.17 2630.75 2759.96 4576.38 4591.68 4635.70 4658.03 4681.50 4724.65 4772.52 4779.14 5414.49 5559.69
0.190430
0.204688
0.205632
0.147409
-1378.798761
-1378.784503
-1378.783559
-1378.841783
1.952843D-04
MUNgauss
RevisionA2.1
retrievium
27-Apr-2021
DUDE CC(C)[C@@H](C(=O)[O-])Sc1nnc(s1)N C41017601
RHF
6-31G(d)
(6D,10F)
C1
232.021445
|X|Y|Z|
18.403114 26.517030 56.140043
30.145996
5
|36.858105|
|12.399473|36.858105|
|7.608935|12.439069|36.858105|
|7.583712|12.354232|7.360981|36.858105|
|6.855095|8.735398|6.637280|17.655789|0.500000|
|6.377440|7.480302|4.827281|12.161366|0.240931|36.858105|
|5.176677|6.270103|4.313261|8.101846|0.163797|15.457377|73.516695|
|5.901034|5.774494|4.073772|8.058118|0.211317|15.540682|15.138641|73.516695|
|4.538382|6.730397|5.795929|10.288240|0.220403|7.032968|11.910115|9.111959|388.023441|
|3.843221|5.185148|5.474319|6.711720|0.192336|4.677028|7.521442|7.027340|77.217954|36.858105|
|3.945747|5.011055|5.643472|6.116775|0.201628|4.237601|6.527970|6.757026|49.375117|15.002442|53.358707|
|3.124699|3.726271|4.266297|4.242893|0.134241|3.261236|5.197529|5.373167|34.408882|8.576281|18.838346|53.358707|
|2.732762|3.280428|3.676494|3.722163|0.111337|2.984139|4.927055|4.856403|32.979298|7.966231|11.754996|20.470905|36.858105|
|2.856150|3.592180|3.853166|4.215539|0.117743|3.404717|5.830902|5.301300|44.917984|10.778924|10.200983|10.212286|10.944016|388.023441|
|2.296223|2.664694|2.971238|2.929197|0.086605|2.454574|4.114129|4.066700|24.869714|5.063715|7.336972|11.073416|13.739587|49.475128|53.358707|
|17.503360|8.790977|7.009487|5.500261|0.139621|4.825448|7.599279|7.991285|27.147331|3.332046|4.652855|3.825263|2.491173|18.385464|2.903107|0.500000|
|17.625348|8.723939|5.503383|6.969073|0.171749|7.350344|10.441241|12.941125|30.267274|3.478135|4.744908|3.822098|2.500463|18.839945|2.888467|0.300233|0.500000|
|17.519979|8.767653|6.895825|6.824751|0.201866|5.555274|7.768224|9.957426|29.881490|3.835983|5.669821|4.512365|2.819115|20.174095|3.225496|0.301039|0.302571|0.500000|
|8.901392|17.550708|8.897966|8.981932|0.174375|7.106682|12.510454|9.320445|45.551157|4.585885|5.704563|4.434356|2.987209|24.123012|3.363271|0.213466|0.211992|0.173531|0.500000|
|6.846686|8.760260|17.558506|6.665234|0.194723|4.415874|6.755937|7.001667|36.988829|5.575431|8.883786|6.671771|3.969470|27.539113|4.334675|0.170668|0.139846|0.203601|0.173342|0.500000|
|5.497966|8.727974|17.576910|6.624260|0.162618|4.450640|7.413066|6.543110|46.728750|6.452973|8.383272|6.360408|4.172373|32.511650|4.504862|0.142702|0.122410|0.140027|0.212776|0.301910|0.500000|
|7.038764|8.818035|17.502645|5.417657|0.137391|4.048637|6.671505|6.265244|31.755388|4.218076|5.906377|4.822157|3.131185|23.048516|3.581438|0.214689|0.142792|0.172748|0.213217|0.300770|0.302052|0.500000|
|2.237450|2.540961|2.842292|2.766320|0.083193|2.328588|3.861901|3.919836|22.388049|4.420735|6.831208|10.607299|9.675136|37.799741|25.928281|0.057905|0.057353|0.065041|0.064837|0.086384|0.085858|0.070536|0.500000|
|2.125929|2.450202|2.659154|2.724593|0.079860|2.344148|3.967728|3.899003|23.395503|4.525874|6.221907|8.404800|9.485007|46.325211|25.956596|0.054822|0.055307|0.060577|0.063877|0.077910|0.081679|0.065844|0.321406|0.500000|
1377.911855
-5535.782722
1777.484936
-126.698596
-2507.084528
1128.095331
-1378.989197
2.000782
401000000000000A
423DCE8CD7FFFFFF
41CF87FCA9419636
4034000000000001
4010000000000000
40D9280000000001