1-[6-(5-Methoxy-3-Pyridinyl)-1,3-Benzothiazol-2-Yl]-3-[2-(1-Propyl-1H-Imidazol-4-Yl)Ethyl]Urea

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Properties Simple | Detailed

Formula C22H24N6O2S
IUPAC Name 1-[6-(5-methoxy-3-pyridyl)-1,3-benzothiazol-2-yl]-3-[2-(3-propyl-4h-imidazol-3-ium-4-ylium-5-yl)ethyl]urea
Molecular Mass 436.530 g·mol−1
Heat of Formation 45.2 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 515.61 Å 3
Surface Area 468.93 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
InChIKey VYPWROGLWNYKDD-UHFFFAOYSA-N
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