Formula |
C33H36N4O6 |
IUPAC Name |
3-[(2z)-2-[[3-(2-carboxyethyl)-4-methyl-5-[(z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]pyrrol-1-ium-5-ylium-2-yl]methylene]-4-methyl-5-[[(2r)-3-methyl-5-oxo-4-vinyl-1,2-dihydropyrrol-2-yl]methyl]pyrrol-3-yl]propanoic acid |
Molecular Mass |
584.662 g·mol−1 |
Heat of Formation |
-703.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.63 ± 1.08 D |
Volume |
716.33 Å 3 |
Surface Area |
570.96 Å 2 |
HOMO Energy |
-8.16 ± 0.55 eV |
LUMO Energy |
-1.67 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZQHDSLZHMAUUQK-ZTYGKHTCSA-N |
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Elements |
H
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