4-(4-{4-[4-(Dibutylamino)Phenyl]-1,3-Butadien-1-Yl}-1-Pyridiniumyl)-1-Butanesulfonate
Properties
Property | Value |
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Formula | C27H38N2O3S |
IUPAC Name | 4-[4-[(1z,3z)-4-[4-(dibutylamino)phenyl]buta-1,3-dienyl]pyridin-1-ium-1-yl]butane-1-sulfonate |
Molecular Mass | 470.667 g·mol−1 |
Heat of Formation | -157.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 40.43 ± 1.08 D |
Volume | 607.64 Å 3 |
Surface Area | 538.88 Å 2 |
HOMO Energy | -7.73 ± 0.55 eV |
LUMO Energy | -0.03 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | AGTMTHJNRMNTDK-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |