Geometry & MOs

Info

ID:	66214
PubChem CID:	46500439
Reduced:	NSO5H21C22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	367.087829
ΔH_f, kcal/mol:	-118.8
Dipole, Da:	3.05
IP(EA), eV:	-8.69(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)/C=C/2\NC(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/S2

DOS

IR

Vibrations