Geometry & MOs

Info

ID:

334616

PubChem CID:

127253291

Reduced:

ClN5O7H22C25 (1)

Stoich.:

AB5C7D22E25 (1)

Weight, g/mol:

506.09145

ΔHf, kcal/mol:

-141.26

Dipole, Da:

5.73

IP(EA), eV:

 -9.02(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[[(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,4'-cyclohexene]-1'-yl]amino]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=C(C=C4)C5=NN(N=N5)CC(=O)O

DOS

IR

Vibrations