Geometry & MOs

Info

ID:

177673

PubChem CID:

76212404

Reduced:

NO11C27H31 (1)

Stoich.:

AB11C27D31 (1)

Weight, g/mol:

542.126006

ΔHf, kcal/mol:

-440.91

Dipole, Da:

6.5

IP(EA), eV:

 -9.29(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-1-(5-oxo-3-phenyloxadiazol-3-ium-4-ylidene)ethanolate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(C(=C(C=C2)OC3C(C(C(C(O3)(C)C)OC)OC(=O)C4=CC=C(N4)C)O)C)OC1=O)O

DOS

IR

Vibrations