Electronic structure analysis of sulfanilamide-based imines
Presenter(s)
Jennifer Murray, Luke Krall, Kora Webster, and Sam Fenske
Abstract
In this project, we focused on the properties modeling of sulfanilamide-based imines by modeling synthesized compounds in both cis and trans forms. Our aim was to mine properties for alignments with bioactivity results. The results, specifically the energies, were analyzed to determine the effects of substituents on isomer selection as well as other properties. Electronic properties, specifically population analyses of key atoms, have been conducted as well.
College
College of Science & Engineering
Department
Chemistry
Campus
Winona
First Advisor/Mentor
Joseph K. West
Start Date
4-24-2025 1:00 PM
End Date
4-24-2025 2:00 PM
Presentation Type
Poster Session
Format of Presentation or Performance
In-Person
Session
2a=1pm-2pm
Poster Number
53
Electronic structure analysis of sulfanilamide-based imines
In this project, we focused on the properties modeling of sulfanilamide-based imines by modeling synthesized compounds in both cis and trans forms. Our aim was to mine properties for alignments with bioactivity results. The results, specifically the energies, were analyzed to determine the effects of substituents on isomer selection as well as other properties. Electronic properties, specifically population analyses of key atoms, have been conducted as well.
Comments
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