Geometry & MOs

Info

ID:

143978

PubChem CID:

53290642

Reduced:

SN4O5H22C28 (1)

Stoich.:

AB4C5D22E28 (1)

Weight, g/mol:

527.138916

ΔHf, kcal/mol:

3.22

Dipole, Da:

4.86

IP(EA), eV:

 -8.76(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/2\C(=O)N(C(=N2)SCC(=O)C3=C(ON=[N+]3C4=CC=CC=C4)[O-])C5=CC=CC=C5

DOS

IR

Vibrations