Formula |
C33H40N4O6 |
IUPAC Name |
3-[2-[(z)-[3-(2-carboxyethyl)-5-[(e)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[[(2r)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-1-ium-4-id-3-yl]propanoic acid |
Molecular Mass |
588.694 g·mol−1 |
Heat of Formation |
-938.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.90 ± 1.08 D |
Volume |
728.95 Å 3 |
Surface Area |
540.95 Å 2 |
HOMO Energy |
-8.30 ± 0.55 eV |
LUMO Energy |
1.48 ± eV |
Point Group Symmetry |
C1
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InChIKey |
YWHXTEHCIWOHBT-FLXFTNHLSA-N |
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Elements |
H
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