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

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Formula C18H14ClN3OS
IUPAC Name (3r)-n-(3-chlorophenyl)-3-(3-pyridyl)-1,3-dihydropyrrolo[1,2-c]thiazol-4-ium-7a-ylium-7-carboxamide
Molecular Mass 355.841 g·mol−1
Heat of Formation 177.0 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 393.55 Å 3
Surface Area 350.58 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
InChIKey MJGVBIXLFIUPQU-GOSISDBHSA-N
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Elements C Cl H O N S