PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
methylpropylthioether
2088 Methylpropylthioether
(Previous)
(Back)
(Next)
ΔHf: -19.5 kcal/mol, REF: H. Mackle, P. A. G. O'Hare, Tetrahedron, 19, 961 (1963).
PM7
Methylpropylthioether
H=-19.5 HR=MO1963
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
S 1.82229712 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.84029123 +1 101.8367500 +1 0.0000000 +0 2 1 0
C 1.52731950 +1 109.1468001 +1 179.7840381 +1 3 2 1
C 1.53118019 +1 109.8893163 +1 179.9514895 +1 4 3 2
H 1.09626609 +1 111.0361462 +1 179.9167366 +1 5 4 3
H 1.09570614 +1 111.5749453 +1 60.1470695 +1 5 4 3
H 1.09569568 +1 111.5651596 +1 -60.3237482 +1 5 4 3
H 1.10887535 +1 110.9963542 +1 58.6813830 +1 4 3 2
H 1.10888250 +1 111.0012277 +1 -58.7582785 +1 4 3 2
H 1.10387320 +1 109.8000700 +1 58.3430282 +1 3 2 1
H 1.10389957 +1 109.7802353 +1 -58.7720838 +1 3 2 1
H 1.09729725 +1 107.8993264 +1 -179.9148606 +1 1 2 3
H 1.09376721 +1 112.0288638 +1 61.3217338 +1 1 2 3
H 1.09377394 +1 112.0429625 +1 -61.1400346 +1 1 2 3