Clavatadine A
Properties
Property | Value |
---|---|
Formula | C14H18Br2N4O5 |
IUPAC Name | 2-[2,4-dibromo-3-(4-guanidinobutylcarbamoyloxy)-6-hydroxy-phenyl]acetic acid |
Molecular Mass | 482.125 g·mol−1 |
Heat of Formation | -786.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.05 ± 1.08 D |
Volume | 433.13 Å 3 |
Surface Area | 345.86 Å 2 |
HOMO Energy | -9.12 ± 0.55 eV |
LUMO Energy | -0.61 ± eV |
Point Group Symmetry | C1 |
InChIKey | XFAYUCCPAGOBFN-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O Br N |