N-(4-{[(1H-Imidazol-2-Ylmethyl)Amino]Methyl}Benzyl)-4-Oxo-1,4-Dihydrothieno[2,3-D]Pyrimidine-5-Carboxamide

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Formula C19H18N6O2S+
IUPAC Name n-[[4-[(imidazol-2-ylmethylamino)methyl]phenyl]methyl]-4-oxo-thieno[2,3-d]pyrimidine-3,7-diium-5-carboxamide
Molecular Mass 394.450 g·mol−1
Heat of Formation 83.7 ± 16.7 kJ·mol−1
Dipole Moment 6.44 ± 1.08 D
Volume 447.8 Å 3
Surface Area 399.66 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.85 ± eV
Point Group Symmetry C1
InChIKey RLANZYKQCHLLJS-UHFFFAOYSA-N
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