Geometry & MOs

Info

ID:	189838
PubChem CID:	77912741
Reduced:	OF3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	528.190521
ΔH_f, kcal/mol:	-108.94
Dipole, Da:	3.74
IP(EA), eV:	-8.81(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-(diethylamino)propoxy]phenyl]-5-(3,3-diphenylprop-2-enylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)CC(CC3=CC(=C(C=C3F)F)F)N

DOS

IR

Vibrations