3-Oxo-3H-Spiro[2-Benzofuran-1,9'-Xanthen]-3'-Yl 4-[(Diaminomethylene)Amino]Benzoate

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Properties Simple | Detailed

Formula C28H19N3O5
IUPAC Name [(1s)-3-oxospiro[isobenzofuran-1,9'-xanthene]-3'-yl] 4-guanidinobenzoate
Molecular Mass 477.468 g·mol−1
Heat of Formation -287.3 ± 16.7 kJ·mol−1
Dipole Moment 8.92 ± 1.08 D
Volume 525.68 Å 3
Surface Area 458.43 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
InChIKey OVOWMQRABZWWPK-MUUNZHRXSA-N
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