Molecules

l(C=N) (Å)

α(S-CN)(ua)

$\Delta S_f^0$ (kcal/moLK)

µ(D)

pIC₅₀

h_ii

TH1

1.317

113.907

−1.523

8.299

2.591

0.222

TH2

1.321

113.761

−1.246

12.004

2.539

0.262

TH3

1.320

113.983

−1.416

8.752

2.558

0.140

TH4

1.318

114.191

−1.639

7.987

2.674

0.413

TH5

1.319

113.783

−1.242

11.737

2.544

0.202

TH6

1.316

114.01

−1.467

6.722

2.546

0.234

TH7

1.318

113.804

−1.350

10.410

2.561

0.181

TH8

1.300

113.995

−1.197

7.614

2.551

0.944

TH9

1.317

114.034

−1.410

7.776

2.553

0.141

TH10

1.318

114.008

−1.090

12.047

2.540

0.768

TH11

1.317

113.788

−1.296

11.765

2.579

0.188

TH12

1.318

113.977

−1.386

7.940

2.532

0.172

TH13

1.317

114.204

−1.696

5.994

2.648

0.379

TH14

1.315

113.882

−1.614

12.129

2.751

0.755