1-{(4S)-1-[2-(4-Chlorophenyl)-1,3-Benzoxazol-7-Yl]-4-Hydroxy-3-Pentanyl}-1H-Imidazole-4-Carboxamide

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Properties Simple | Detailed

Formula C22H21ClN4O3
IUPAC Name 1-[(1s,2s)-1-[2-[2-(4-chlorophenyl)-1,3-benzoxazol-7-yl]ethyl]-2-hydroxy-propyl]-2h-imidazol-1-ium-2-ylium-4-carboxamide
Molecular Mass 424.880 g·mol−1
Heat of Formation -184.0 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 488.82 Å 3
Surface Area 424.89 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
InChIKey SMFRBBHLVBWHGB-DJJJIMSYSA-N
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Elements H C N O Cl