Geometry & MOs

Info

ID:

335012

PubChem CID:

127253818

Reduced:

ClN5O5H22C24 (1)

Stoich.:

AB5C5D22E24 (1)

Weight, g/mol:

432.120047

ΔHf, kcal/mol:

-58.42

Dipole, Da:

7.39

IP(EA), eV:

 -8.88(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[(1-methyl-1,2,4-triazol-3-yl)methylamino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=CC=C4C5=NN(N=N5)C

DOS

IR

Vibrations