Formula |
C33H36N4O6 |
IUPAC Name |
3-[2-[(e)-[(5z)-3-(2-carboxyethyl)-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-pyrrol-2-yl)methylene]pyrrol-2-ylidene]methyl]-4-methyl-5-[[(2s)-3-methyl-5-oxo-4-vinyl-1,2-dihydropyrrol-2-yl]methyl]-1h-pyrrol-3-yl]propanoic acid |
Molecular Mass |
584.662 g·mol−1 |
Heat of Formation |
2837.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.45 ± 1.08 D |
Volume |
598.15 Å 3 |
Surface Area |
515.81 Å 2 |
HOMO Energy |
-8.71 ± 0.55 eV |
LUMO Energy |
-3.44 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CGSPNIOREWHDGG-XVUGFWEHSA-N |
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Elements |
H
C
O
N
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