Geometry & MOs

Info

ID:

143974

PubChem CID:

53289438

Reduced:

ClSN3O4C24H30 (1)

Stoich.:

ABC3D4E24F30 (1)

Weight, g/mol:

573.144395

ΔHf, kcal/mol:

-142.02

Dipole, Da:

2.83

IP(EA), eV:

 -8.48(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

4-[2-[(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylacetyl]-3-(4-methoxyphenyl)-2H-oxadiazol-3-ium-5-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)CC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations