3-[2-[[3-(2-Carboxyethyl)-5-[(4-Ethyl-3-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl)Methyl]-4-Methyl-Pyrrol-1-Ium-2-Ylidene]Methyl]-5-[(3-Ethyl-4-Methyl-5-Oxo-1,2-Dihydropyrrol-2-Yl)Methyl]-4-Methyl-1H-Pyrrol-3-Yl]Propanoic Acid
Properties
Property | Value |
---|---|
Formula | C33H42N4O6 |
IUPAC Name | 3-[2-[(e)-[3-(2-carboxyethyl)-5-[[(2s)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[[(2s)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1h-pyrrol-3-yl]propanoic acid |
Molecular Mass | 590.710 g·mol−1 |
Heat of Formation | -968.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.37 ± 1.08 D |
Volume | 740.62 Å 3 |
Surface Area | 589.71 Å 2 |
HOMO Energy | -8.93 ± 0.55 eV |
LUMO Energy | -1.42 ± eV |
Point Group Symmetry | C1 |
InChIKey | KDCCOOGTVSRCHX-ZNBDWXDLSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |