Calculate the absorption spectrum of the molecule using time-dependent DFT (TD-DFT) or high-level Ab Initio methods. This will give you insights into the molecule's UV-Vis absorption behavior. Analyze the peaks in the spectrum to understand which electronic transitions are responsible for absorption.
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C20H9Br2F6NS
4-(3-hexylthiophen-2-yl)-N,N-diphenylaniline
Cyclohepta[c]pyrrolium, 1,3-dimethyl-6-(methylthio)-2-phenyl-, iodide
ROSE BENGAL DIACETATE
Methyl 2-[(dimethylcarbamothioyl)-oxy]-4-methoxybenzoate
Benzenethiol, 2-amino-4,5-dimethoxy-
2 5-BIS(BROMOMETHYL)-1 4-BIS(3' 7'-
