Geometry & MOs

Info

ID:	124036
PubChem CID:	50870349
Reduced:	ClON2S2H17C20 (1)
Stoich.:	ABC2D2E17F20 (1)
Weight, g/mol:	483.153801
ΔH_f, kcal/mol:	57.35
Dipole, Da:	8.9
IP(EA), eV:	-8.27(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/C=C/C=C/2\C(=O)N(C(=S)S2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations