Geometry & MOs

Info

ID:	124078
PubChem CID:	50872032
Reduced:	SN3O3H21C31 (1)
Stoich.:	AB3C3D21E31 (1)
Weight, g/mol:	512.026742
ΔH_f, kcal/mol:	58.13
Dipole, Da:	7.93
IP(EA), eV:	-8.75(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(3-chlorophenyl)-5-[[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC=C4C#N)C(=O)N(C2=S)C5=CC=CC=C5

DOS

IR

Vibrations