Accuracy
dimethyl sulfate
1577 Dimethyl sulfate
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Geometry predicted using PM7
ΔHf: -164.2 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.
Dimethyl sulfate
H=-164.2 HR=NIST
C -0.04219665 +1 -0.02206919 +1 -0.02216418 +1
S 2.59263442 +1 0.11759686 +1 0.00677236 +1
C 2.91354915 +1 2.74089142 +1 -0.07593984 +1
O 3.58818076 +1 0.16802771 +1 1.03454962 +1
O 2.54428017 +1 -0.90573722 +1 -0.99346575 +1
O 1.11760809 +1 0.20863307 +1 0.75007776 +1
O 2.56519950 +1 1.57035062 +1 -0.78434051 +1
H -0.01977759 +1 -1.02113358 +1 -0.47863418 +1
H -0.16064409 +1 0.76318417 +1 -0.77995166 +1
H -0.85146788 +1 0.03982135 +1 0.72152812 +1
H 3.95010793 +1 2.68611541 +1 0.28392643 +1
H 2.21372277 +1 2.92146510 +1 0.74996021 +1
H 2.81335647 +1 3.52870528 +1 -0.83852356 +1