Formula |
C34H49F2N2O12 |
IUPAC Name |
2-[2-[2-[2-[bis(carboxylatomethyl)amino]-5-methoxy-phenoxy]ethoxy]-4-(2,7-difluoro-3-oxido-6-oxo-4a,9a-dihydroxanthen-9-yl)anilino]acetate |
Molecular Mass |
716.764 g·mol−1 |
Heat of Formation |
-1525.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
36.58 ± 1.08 D |
Volume |
785.44 Å 3 |
Surface Area |
592.78 Å 2 |
HOMO Energy |
-6.71 ± 0.55 eV |
LUMO Energy |
-2.78 ± eV |
Point Group Symmetry |
C1
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InChIKey |
CPNQONUQMRZGPJ-UZTOHYMASA-N |
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Elements |
H
C
N
O
F
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