Methyl (2S)-2-[[(2R)-2,6-Diaminohexyl]Amino]-3-[2-(2-Nitrophenyl)Sulfanylindol-1-Ium-3-Yl]Propanoate

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Formula C24H31N5O4S
IUPAC Name methyl (2s)-2-[[(2r)-2,6-diaminohexyl]amino]-3-[2-(2-nitrophenyl)sulfanylindol-1-ium-3-yl]propanoate
Molecular Mass 485.599 g·mol−1
Heat of Formation -212.9 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 579.25 Å 3
Surface Area 415.08 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
InChIKey RJHUPQFRRMYPLE-UZLBHIALSA-N
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