2-(3,6-Dihydroxy-9H-Xanthen-9-Yl)-5-{[(6-Oxohexyl)Carbamothioyl]Amino}Benzoic Acid

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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
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