Geometry & MOs

Info

ID:

127800

PubChem CID:

51016226

Reduced:

IO37C51H77 (1)

Stoich.:

AB37C51D77 (1)

Weight, g/mol:

410.093643

ΔHf, kcal/mol:

-1585.47

Dipole, Da:

6.95

IP(EA), eV:

 -8.92(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(4S,7S)-7-methyl-1,3-dioxo-4,7a-dihydro-3aH-4,7-epoxyisoindol-2-yl]-N-phenylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)CO[C@@H]2[C@@H]([C@@H]3[C@@H](O[C@H]2O[C@H]4[C@@H](O[C@H]([C@H]([C@@H]4O)O)O[C@H]5[C@@H](O[C@H]([C@H]([C@@H]5O)O)O[C@H]6[C@@H](O[C@H]([C@H]([C@@H]6O)O)O[C@H]7[C@@H](O[C@H]([C@H]([C@@H]7O)O)O[C@H]8[C@@H](O[C@H]([C@H]([C@@H]8O)O)O[C@H]9[C@@H](O[C@@H](O3)[C@H]([C@@H]9O)O)CO)CO)CO)CO)CO)CO)CO)O)I

DOS

IR

Vibrations