Geometry & MOs

Info

ID:	124048
PubChem CID:	50870934
Reduced:	FNS2O3H18C24 (1)
Stoich.:	ABC2D3E18F24 (1)
Weight, g/mol:	427.107599
ΔH_f, kcal/mol:	-45.15
Dipole, Da:	2.0
IP(EA), eV:	-8.8(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=CC=C3)OCC4=CC=CC=C4F)/SC2=S

DOS

IR

Vibrations