Geometry & MOs

Info

ID:	172902
PubChem CID:	75570019
Reduced:	BrClOSN3H15C18 (1)
Stoich.:	ABCDE3F15G18 (1)
Weight, g/mol:	465.086864
ΔH_f, kcal/mol:	47.42
Dipole, Da:	2.41
IP(EA), eV:	-8.78(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)C=C2C(=O)N=C(S2)NC3=CC=CC=C3Cl)Br

DOS

IR

Vibrations