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

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Formula C24H31N5O4S
IUPAC Name methyl (2s)-2-[[(2s)-2,6-diaminohexyl]amino]-3-[2-(2-nitrophenyl)sulfanylindol-1-ium-2-ylium-3-yl]propanoate
Molecular Mass 485.599 g·mol−1
Heat of Formation -168.1 ± 16.7 kJ·mol−1
Dipole Moment 4.68 ± 1.08 D
Volume 592.46 Å 3
Surface Area 474.27 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
InChIKey RJHUPQFRRMYPLE-JXFKEZNVSA-N
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