2-[[(2S)-2-[Bis(Carboxymethyl)Amino]-2-(4,5-Dimethoxy-2-Nitro-Phenyl)Ethyl]-(Carboxymethyl)Amino]Acetic Acid

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Formula C18H23N3O12
IUPAC Name 2-[[(2s)-2-[bis(carboxymethyl)amino]-2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-(carboxymethyl)amino]acetic acid
Molecular Mass 473.388 g·mol−1
Heat of Formation -1701.3 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 521.72 Å 3
Surface Area 389.01 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
InChIKey ISKAYVQMFNUHHG-GFCCVEGCSA-N
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