4-Cyano-N-(3-(Cyclopropyl(5,6,7,8,9,10-Hexahydro-4-Hydroxy-2-Oxo-2H-Cycloocta(B)Pyran-3-Yl)Methyl)Phenyl)Benzenesulfonamide

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Properties Simple | Detailed

Formula C25H14N2O5S
IUPAC Name 2-cyano-n-[4-[(1s,3s,7'z)-2',4'-dioxo-2-prop-1-ynyl-spiro[cyclobutane-3,3'-cycloocta[b]pyran]-1-yl]buta-1,3-diynyl]cyclopropene-1-sulfonamide
Molecular Mass 454.454 g·mol−1
Heat of Formation -476.3 ± 16.7 kJ·mol−1
Dipole Moment 7.24 ± 1.08 D
Volume 594.64 Å 3
Surface Area 419.63 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 1.60 ± eV
Point Group Symmetry C1
InChIKey VCYQENLVFRTJIC-RUZDIDTESA-N
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