Accuracy
dipropyl sulfoxide
2131 Dipropyl sulfoxide
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Geometry predicted using PM7
ΔHf: -60.9 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
Dipropyl sulfoxide
H=-60.9 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53222269 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.52549863 +1 110.2095343 +1 0.0000000 +0 2 1 0
S 1.84748394 +1 110.2035348 +1 -179.6995710 +1 3 2 1
C 1.84613311 +1 99.6506292 +1 -129.0518118 +1 4 3 2
C 1.52581230 +1 110.1452838 +1 124.8422267 +1 5 4 3
C 1.53205379 +1 110.2012140 +1 -179.5333534 +1 6 5 4
O 1.48544944 +1 104.7912451 +1 122.6171278 +1 4 3 2
H 1.09534557 +1 111.2086177 +1 179.7473322 +1 1 2 3
H 1.09623475 +1 111.4290771 +1 60.0073828 +1 1 2 3
H 1.09518798 +1 111.6459507 +1 -60.2413291 +1 1 2 3
H 1.10953222 +1 109.1538007 +1 57.7131399 +1 2 1 9
H 1.10784608 +1 109.2703122 +1 -57.7839543 +1 2 1 9
H 1.10002541 +1 110.6010439 +1 55.8634083 +1 3 2 1
H 1.10795024 +1 110.3799557 +1 -60.4963847 +1 3 2 1
H 1.10026113 +1 112.1058027 +1 1.2851869 +1 5 4 3
H 1.10786797 +1 108.0713843 +1 -114.3609674 +1 5 4 3
H 1.10949049 +1 110.8787082 +1 59.5060143 +1 6 5 4
H 1.10781616 +1 111.2284432 +1 -58.1926581 +1 6 5 4
H 1.09544725 +1 111.2272169 +1 -179.5744637 +1 7 6 5
H 1.09530553 +1 111.6517325 +1 60.4239416 +1 7 6 5
H 1.09629455 +1 111.4520623 +1 -59.8232223 +1 7 6 5