1-Allyl-3-[4-(3-Methylbutyl)-5-Oxo-6-(3-Pyridinyl)-4,5-Dihydro[1,3]Thiazolo[5,4-B]Pyridin-2-Yl]Urea

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Properties Simple | Detailed

Formula C20H23N5O2S+
IUPAC Name 1-allyl-3-[4-isopentyl-5-oxo-6-(3-pyridyl)thiazolo[5,4-b]pyridin-4-ium-6-id-2-yl]urea
Molecular Mass 397.494 g·mol−1
Heat of Formation -32.3 ± 16.7 kJ·mol−1
Dipole Moment 8.72 ± 1.08 D
Volume 469.59 Å 3
Surface Area 418.55 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
InChIKey HDSYKPYXRVXIRI-UHFFFAOYSA-N
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