(2R)-2-[3-(4-Azido-3-Iodo-Phenyl)Propanoylamino]-3-(3H-Pyridin-1-Ium-3-Id-6-Yldisulfanyl)Propanoic Acid

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Properties Simple | Detailed

Formula C17H18IN5O3S2
IUPAC Name (2r)-2-[3-(4-azido-3-iodo-phenyl)propanoylamino]-3-(3h-pyridin-1-ium-3-id-6-yldisulfanyl)propanoic acid
Molecular Mass 531.391 g·mol−1
Heat of Formation 20.5 ± 16.7 kJ·mol−1
Dipole Moment 1.57 ± 1.08 D
Volume 495.49 Å 3
Surface Area 389.77 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
InChIKey XJMFRMBUSWQGIE-AWEZNQCLSA-N
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