Geometry & MOs

Info

ID:	124047
PubChem CID:	50870933
Reduced:	FNS2O3H18C24 (1)
Stoich.:	ABC2D3E18F24 (1)
Weight, g/mol:	451.071214
ΔH_f, kcal/mol:	-42.32
Dipole, Da:	4.26
IP(EA), eV:	-8.73(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=CC=C3OCC4=CC=C(C=C4)F)/SC2=S

DOS

IR

Vibrations