Geometry & MOs

Info

ID:	124088
PubChem CID:	50872197
Reduced:	NO3H9C10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	412.091535
ΔH_f, kcal/mol:	-74.88
Dipole, Da:	7.96
IP(EA), eV:	-9.15(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(4-methoxyphenyl)-5-[(2-morpholin-4-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\C1=CC(=C(C=C1)OC)OCC2=CC=C(C=C2)[N+](=O)[O-])/C#N

DOS

IR

Vibrations