Irosustat

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Properties Simple | Detailed

Formula C14H15NO5S
IUPAC Name (6-oxo-8,9,10,11-tetrahydro-7h-cyclohepta[c]chromen-3-yl) sulfamate
Molecular Mass 309.338 g·mol−1
Heat of Formation -736.0 ± 16.7 kJ·mol−1
Dipole Moment 8.08 ± 1.08 D
Volume 328.09 Å 3
Surface Area 296.24 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 6-oxo-8,9,10,11-tetrahydro-7h-cyclohepta[c][1]benzopyran-3-o-sulfamate
  • 667-coumate
InChIKey DSLPMJSGSBLWRE-UHFFFAOYSA-N
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