N-Methyl-N-[[A-(2-Methyl-1H-Imidazo[4,5-C]Pyridin-1-Yl)-P-Tolyl]Sulfonyl]-L-Leucine Ethyl Ester

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Formula C23H31N4O4S+
IUPAC Name ethyl (2s)-4-methyl-2-[methyl-[4-[(2-methylimidazo[4,5-c]pyridin-3-ium-1-yl)methyl]phenyl]sulfonyl-amino]pentanoate
Molecular Mass 459.582 g·mol−1
Heat of Formation 3882.6 ± 16.7 kJ·mol−1
Dipole Moment 27.26 ± 1.08 D
Volume 440.86 Å 3
Surface Area 392.9 Å 2
HOMO Energy -6.90 ± 0.55 eV
LUMO Energy -3.99 ± eV
Point Group Symmetry C1
InChIKey AQRXDPFOYJSPMP-JOCHJYFZSA-N
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