Geometry & MOs

Info

ID:	124075
PubChem CID:	50871927
Reduced:	ClS2N3O3H16C25 (1)
Stoich.:	AB2C3D3E16F25 (1)
Weight, g/mol:	471.076299
ΔH_f, kcal/mol:	79.86
Dipole, Da:	11.73
IP(EA), eV:	-8.68(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(3-fluorophenyl)-5-[[2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)/C=C/4\C(=O)N(C(=S)S4)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations