N-{[(6R)-6-Methyl-5-Oxo-3-Thioxo-2-Morpholinyl]Carbonyl}-L-Histidine

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Properties Simple | Detailed

Formula C12H14N4O5S
IUPAC Name (2s)-3-(1h-imidazol-5-yl)-2-[[(2r,6r)-6-methyl-5-oxo-3-thioxo-morpholine-2-carbonyl]amino]propanoic acid
Molecular Mass 326.328 g·mol−1
Heat of Formation -685.0 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 360.33 Å 3
Surface Area 299.82 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
InChIKey MFRQILPBKHSQCZ-MHSYXAOVSA-N
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