2-(3,6-Dihydroxy-9H-Xanthen-9-Yl)-5-{[(6-Oxohexyl)Carbamothioyl]Amino}Benzoic Acid
Properties
Property | Value |
---|---|
Formula | C27H26N2O6S |
IUPAC Name | 2-(3,6-dihydroxy-9h-xanthen-9-yl)-5-(6-oxohexylcarbamothioylamino)benzoic acid |
Molecular Mass | 506.570 g·mol−1 |
Heat of Formation | -738.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.68 ± 1.08 D |
Volume | 585.16 Å 3 |
Surface Area | 501.33 Å 2 |
HOMO Energy | -8.45 ± 0.55 eV |
LUMO Energy | 2.16 ± eV |
Point Group Symmetry | C1 |
InChIKey | BBKNOHCKQNGHOL-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C S O N |