Formula |
C33H37N4O6+ |
IUPAC Name |
3-[2-[(z)-[3-(2-carboxyethyl)-4-methyl-5-[(z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]pyrrol-1-ium-2-ylidene]methyl]-5-[(z)-[(3e)-3-ethylidene-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid |
Molecular Mass |
585.670 g·mol−1 |
Heat of Formation |
3092.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.65 ± 1.08 D |
Volume |
645.4 Å 3 |
Surface Area |
568.36 Å 2 |
HOMO Energy |
-9.31 ± 0.55 eV |
LUMO Energy |
-2.31 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DKMLMZVDTGOEGU-ISEYCTJISA-O |
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