Geometry & MOs

Info

ID:	124053
PubChem CID:	50871258
Reduced:	FNCl2O2S2H14C23 (1)
Stoich.:	ABC2D2E2F14G23 (1)
Weight, g/mol:	505.094842
ΔH_f, kcal/mol:	-19.45
Dipole, Da:	6.55
IP(EA), eV:	-9.06(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC2=C(C=CC=C2Cl)F)/C=C/3\C(=O)N(C(=S)S3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations