N-Butyl-3-[4-(Ethoxymethyl)-2,6-Dimethoxyphenyl]-6-Methoxy-N-(Tetrahydro-2H-Pyran-4-Yl)Pyrazolo[5,1-B][1,3]Thiazol-7-Amine

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Formula C26H37N3O5S
IUPAC Name n-butyl-3-[4-(ethoxymethyl)-2,6-dimethoxy-phenyl]-6-methoxy-n-tetrahydropyran-4-yl-pyrazolo[5,1-b]thiazole-1,4-diium-7-amine
Molecular Mass 503.654 g·mol−1
Heat of Formation -512.5 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 610.72 Å 3
Surface Area 508.01 Å 2
HOMO Energy -7.42 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
InChIKey MKMSLJYQGXJIQH-UHFFFAOYSA-N
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