2,2'-{[4-(4-{[(4,6-Diamino-2-Pyrimidinyl)Sulfanyl]Methyl}-5-Propyl-1,3-Thiazol-2-Yl)-1,2-Phenylene]Bis(Oxy)}Diethanol

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Properties Simple | Detailed

Formula C21H27N5O4S2
IUPAC Name 2-[4-[4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-5-propyl-thiazol-2-yl]-2-(2-hydroxyethoxy)phenoxy]ethanol
Molecular Mass 477.600 g·mol−1
Heat of Formation -429.9 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 549.89 Å 3
Surface Area 484.64 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
InChIKey SVAHOUYXRPNIPY-UHFFFAOYSA-N
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