3-{(2Z,3S,4S)-2-[(5R)-2-[(3-Ethyl-5-Formyl-4-Methyl-1H-Pyrrol-2-Yl)Methyl]-5-(Methoxycarbonyl)-3-Methyl-4-Oxo-4,5-Dihydrocyclopenta[B]Pyrrol-6(1H)-Ylidene]-4-Methyl-5-[(Z)-(3-Methyl-5-Oxo-4-Vinyl-1,5-Dihydro-2H-Pyrrol-2-Ylidene)Methyl]-3,4-Dihydro-2H-Pyrrol-3-Yl}Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C35H38N4O7 |
| IUPAC Name | 3-[(2z,3s,4s)-2-[(5r)-2-[(3-ethyl-5-formyl-4-methyl-pyrrol-1-ium-5-ylium-2-yl)methyl]-5-methoxycarbonyl-3-methyl-4-oxo-cyclopenta[b]pyrrol-1-ium-2-ylium-6-ylidene]-4-methyl-5-[(z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-3,4-dihydropyrrol-3-yl]propanoic acid |
| Molecular Mass | 626.699 g·mol−1 |
| Heat of Formation | -879.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.67 ± 1.08 D |
| Volume | 767.31 Å 3 |
| Surface Area | 580.38 Å 2 |
| HOMO Energy | -8.31 ± 0.55 eV |
| LUMO Energy | -1.95 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZDEZVOKVUGXDCZ-FATBKOMMSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |