9-Amino-12-[Carboxy(Hydroxy)Methyl]-4-Methoxy-10,13-Dioxo-2-Oxa-11,14-Diazatricyclo[15.2.2.1~3,7~]Docosa-1(19),3(22),4,6,17,20-Hexaene-15-Carboxylic Acid

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Formula C23H25N3O9
IUPAC Name 9-amino-12-[carboxy(hydroxy)methyl]-4-methoxy-10,13-dioxo-2-oxa-11,14-diazatricyclo[15.2.2.1 3,7 ]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxylic acid
Molecular Mass 487.459 g·mol−1
Heat of Formation -1400.0 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 559.6 Å 3
Surface Area 424.62 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
InChIKey OMRYGLOMNVJTNU-LNMJFAINSA-N
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