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Results tagged with conformers
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user 16622
For questions about conformational isomerism. Use this tag alongside [stereochemistry].
2
votes
Is there a definition of rotatable bond?
The IUPAC Gold Book states at least somthing to free rotation:
free rotation (hindered rotation, restricted rotation)
In a stereochemical context the rotation about a bond is called 'free' when the r …
8
votes
Which conformations of 2,3-dimethylbutane are more stable?
The correct arrangement (from least stable to most stable) is probably: $4 > 2 > 3 \gtrapprox 1$ based on my calculations for the four gas phase rotamers you can see in the figure below.
Your reaso …
12
votes
1
answer
450
views
Trying to understand SMILES(?) patterns
In the example calculation from the conformer search package fafoom is a mysterious pattern that I'd like to understand.
The SMILES code of the given example structure is:
CC(=O)N[C@H](C(=O)NC)C
T …