(3S)-N-(3-Benzoylphenyl)-3-(3-Pyridinyl)-1H-Pyrrolo[1,2-C][1,3]Thiazole-7-Carboxamide

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Formula C25H19N3O2S
IUPAC Name (3s)-n-(3-benzoylphenyl)-3-(3-pyridyl)-1,3-dihydropyrrolo[1,2-c]thiazol-4-ium-7a-ylium-7-carboxamide
Molecular Mass 425.502 g·mol−1
Heat of Formation 187.7 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 486.8 Å 3
Surface Area 429.14 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey PQQFNXGONTVQLM-VWLOTQADSA-N
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