Accuracy
diisobutyl sulfide
2104 Diisobutyl sulfide
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Geometry predicted using PM7
ΔHf: -42.9 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
PM7
Diisobutyl sulfide
H=-42.9 HR=NIST
C -0.01222257 +1 0.01067180 +1 0.02343983 +1
C 1.50628273 +1 0.20008423 +1 -0.06377787 +1
C 1.88039806 +1 1.68730562 +1 -0.11297165 +1
S 1.58093617 +1 2.35437462 +1 -1.80234542 +1
C 1.86667416 +1 4.15233620 +1 -1.52905365 +1
C 1.50228803 +1 4.93721310 +1 -2.79604922 +1
C -0.01597208 +1 5.09302673 +1 -2.93731353 +1
C 2.15807676 +1 6.32579484 +1 -2.72579536 +1
C 2.17804004 +1 -0.44164233 +1 1.16077096 +1
H -0.42532866 +1 0.47272028 +1 0.92613100 +1
H -0.52752369 +1 0.45446966 +1 -0.83680560 +1
H -0.27760016 +1 -1.05193718 +1 0.04498554 +1
H 1.88333805 +1 -0.32043952 +1 -0.97968193 +1
H 1.29686163 +1 2.25865604 +1 0.62833278 +1
H 2.94619801 +1 1.82860708 +1 0.13845933 +1
H 1.26867728 +1 4.50345111 +1 -0.67102559 +1
H 2.92858864 +1 4.30712219 +1 -1.26799818 +1
H 1.89870703 +1 4.41144672 +1 -3.70102892 +1
H -0.52243288 +1 4.12199853 +1 -2.98854803 +1
H -0.44524386 +1 5.64270973 +1 -2.09297494 +1
H -0.27267458 +1 5.63933630 +1 -3.85152167 +1
H 1.82019589 +1 6.88576383 +1 -1.84763472 +1
H 3.24967791 +1 6.25202219 +1 -2.67888187 +1
H 1.90831298 +1 6.92289760 +1 -3.60983916 +1
H 3.26921425 +1 -0.36982816 +1 1.10391921 +1
H 1.85931412 +1 0.03700675 +1 2.09231047 +1
H 1.92409236 +1 -1.50488585 +1 1.23599939 +1