5-Chloro-N-{[(4S)-4-(1-Methyl-1H-Imidazol-2-Yl)-2,5-Dioxo-4-Imidazolidinyl]Methyl}-1-Benzofuran-2-Carboxamide

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Properties Simple | Detailed

Formula C17H14ClN5O4
IUPAC Name 5-chloro-n-[[(4s)-4-(3-methyl-4h-imidazol-3-ium-4-ylium-2-yl)-2,5-dioxo-imidazolidin-4-yl]methyl]benzofuran-2-carboxamide
Molecular Mass 387.777 g·mol−1
Heat of Formation -333.7 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 416.19 Å 3
Surface Area 358.82 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 1.65 ± eV
Point Group Symmetry C1
InChIKey NPWGFJCNOCYDSO-KRWDZBQOSA-N
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