Geometry & MOs

Info

ID:	66213
PubChem CID:	46500438
Reduced:	N2O2H6C7 (2)
Stoich.:	A2B2C6D7 (2)
Weight, g/mol:	411.114044
ΔH_f, kcal/mol:	16.06
Dipole, Da:	8.31
IP(EA), eV:	-9.61(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,5Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)/C(=N/OC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])/N

DOS

IR

Vibrations