1-(3',6'-Dihydroxy-3-Oxo-Spiro[Isobenzofuran-1,9'-Xanthene]-5-Yl)-3-[6-[2-(2-Nitroanilino)Ethyldisulfanyl]Pyridin-1-Ium-3-Id-3-Yl]Thiourea

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Properties Simple | Detailed

Formula C34H26N5O7S3
IUPAC Name 1-(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)-3-[6-[2-(2-nitroanilino)ethyldisulfanyl]pyridin-1-ium-3-id-3-yl]thiourea
Molecular Mass 712.794 g·mol−1
Heat of Formation -175.7 ± 16.7 kJ·mol−1
Dipole Moment 9.56 ± 1.08 D
Volume 790.9 Å 3
Surface Area 600.82 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
InChIKey XCOIWAIDPWYFQZ-UHFFFAOYSA-N
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