(2S)-2-[(2,2-Dichloroacetyl)Amino]-3-(5-Nitro-4H-Indol-1-Ium-4-Id-3-Yl)Propanoic Acid

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Formula C13H11Cl2N3O5
IUPAC Name (2s)-2-[(2,2-dichloroacetyl)amino]-3-(5-nitro-4h-indol-1-ium-4-id-3-yl)propanoic acid
Molecular Mass 360.149 g·mol−1
Heat of Formation -518.0 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 366.1 Å 3
Surface Area 299.49 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 2.73 ± eV
Point Group Symmetry C1
InChIKey KHPVUOWJRQILID-JTQLQIEISA-N
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Elements H C N O Cl