2,4-Benzothiazolediol, 7-[2-[[2-[[3-(2-Phenylethoxy)Propyl]Sulfonyl]Ethyl]Amino]Ethyl]-

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Formula C22H28N2O5S2
IUPAC Name 2-oxo-7-[2-[2-[3-(2-phenylethoxy)propylsulfonyl]ethylammonio]ethyl]-3h-1,3-benzothiazol-4-olate
Molecular Mass 464.598 g·mol−1
Heat of Formation -732.6 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 543.19 Å 3
Surface Area 424.55 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
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InChIKey DBCKRBGYGMVSTI-UHFFFAOYSA-N
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