N-{4-[(2R)-2-Hydroxy-3-({2-[4-(1H-Imidazol-1-Yl)Phenoxy]Ethyl}Amino)Propoxy]Phenyl}Methanesulfonamide

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Properties Simple | Detailed

Formula C21H26N4O5S
IUPAC Name n-[4-[(2r)-2-hydroxy-3-[2-[4-(4h-imidazol-3-ium-4-ylium-3-yl)phenoxy]ethylamino]propoxy]phenyl]methanesulfonamide
Molecular Mass 446.520 g·mol−1
Heat of Formation -486.6 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 532.82 Å 3
Surface Area 429.54 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey QZWUQVSQIFFFKY-LJQANCHMSA-N
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