- #1
diekatnoe
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Hello everyone!
The goal is to calculate the length of octanthiols in full stretched all-trans configuration. The structural formula is HS-C_7H_17-CH_3 witch is an alkyl chain terminated with sulfur.
I used Avogadro software to build and model the structure. After i let it measure the distance from the head sulfur atom to the last carbon but i wonder how correct the results are. It says 10.xx Angström.
How would you perform such a calculation?
Greetings
The goal is to calculate the length of octanthiols in full stretched all-trans configuration. The structural formula is HS-C_7H_17-CH_3 witch is an alkyl chain terminated with sulfur.
I used Avogadro software to build and model the structure. After i let it measure the distance from the head sulfur atom to the last carbon but i wonder how correct the results are. It says 10.xx Angström.
How would you perform such a calculation?
Greetings