PES

Click on ellipse to view 3D structure (run JSmol)
kcal/mol 50 48 ~ 46 28 26 24 22 20 18 16 14 12 10 8 6 4 2 0 -2 -4 -6 -8 -10 -12 -14 -13.80 kcal -13.80 kcal yy -10.69 kcal -10.69 kcal yy-yy -9.24 kcal -9.24 kcal 410e -9.56 kcal -9.56 kcal 7d -7.45 kcal -7.45 kcal 320t -1.12 kcal -1.12 kcal 510_6 -1.31 kcal -1.31 kcal 510_5 -2.36 kcal -2.36 kcal tr1 47.11 kcal 47.11 kcal tr1-7c 49.81 kcal 49.81 kcal tr1-410f -1.95 kcal -1.95 kcal mu -2.24 kcal -2.24 kcal 510_4 -0.66 kcal -0.66 kcal tr3 2.69 kcal 2.69 kcal 420s3 19.67 kcal 19.67 kcal 420s3-320s2 4.16 kcal 4.16 kcal 510_8 19.44 kcal 19.44 kcal 510_8-410e 3.69 kcal 3.69 kcal 320s3 7.61 kcal 7.61 kcal 03 14.64 kcal 14.64 kcal 03-mu 22.14 kcal 22.14 kcal 03-xxx3 10.64 kcal 10.64 kcal 320s_ 12.13 kcal 12.13 kcal 320s_-320t 10.02 kcal 10.02 kcal 07 15.10 kcal 15.10 kcal 07-mu 9.23 kcal 9.23 kcal 420ss 19.17 kcal 19.17 kcal 420ss-320s3 12.25 kcal 12.25 kcal 410f 13.05 kcal 13.05 kcal 320s2 13.80 kcal 13.80 kcal 09 15.16 kcal 15.16 kcal 11 24.79 kcal 24.79 kcal 11-7d 17.47 kcal 17.47 kcal 7c 18.26 kcal 18.26 kcal xxx3 25.33 kcal 25.33 kcal tr4