4-Amino-3-({(2E)-4-[(1,4-Dioxo-1,2,3,4-Tetrahydro-5-Phthalazinyl)Amino]-4-Oxo-2-Butenoyl}Oxy)Butanoic Acid

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Properties Simple | Detailed

Formula C16H16N4O7
IUPAC Name 3-[(e)-4-[(1,4-dioxo-7,8-dihydro-6h-phthalazine-6,7,8-triid-5-yl)azanidyl]-4-oxo-but-2-enoyl]oxy-4-λ1-azanyl-butanoate
Molecular Mass 376.321 g·mol−1
Heat of Formation 793.6 ± 16.7 kJ·mol−1
Dipole Moment 1.77 ± 1.08 D
Volume 378.93 Å 3
Surface Area 355.83 Å 2
HOMO Energy -10.21 ± 0.55 eV
LUMO Energy -3.61 ± eV
Point Group Symmetry C1
InChIKey UBZXAFDQTMZGQZ-ZJELKQJVSA-N
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