Accuracy
diethyl thioether
2086 Diethyl thioether
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Geometry predicted using PM7
ΔHf: -19.9 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Diethyl thioether
H=-19.89,0.19 HR=C&P1970 S=87.98 CP=27.96
C -0.01286826 +1 -0.08132901 +1 0.08020169 +1
C 1.50456635 +1 -0.02711161 +1 0.05843678 +1
S 2.15241729 +1 1.69108137 +1 0.08395458 +1
C 1.97937123 +1 2.18042240 +1 1.84539015 +1
C 3.07262688 +1 1.59988463 +1 2.72529363 +1
H 2.99104002 +1 1.98032836 +1 3.75303149 +1
H 4.07791207 +1 1.86277328 +1 2.36720869 +1
H 3.02616653 +1 0.50559055 +1 2.78472637 +1
H 0.97988695 +1 1.89271612 +1 2.21713158 +1
H 2.01094733 +1 3.28776137 +1 1.85601035 +1
H 1.93180599 +1 -0.60152660 +1 0.89960687 +1
H 1.90375831 +1 -0.48509561 +1 -0.86816464 +1
H -0.36758687 +1 -1.11752794 +1 -0.01089613 +1
H -0.46069231 +1 0.48419901 +1 -0.74901664 +1
H -0.43546048 +1 0.31986385 +1 1.00993214 +1