Geometry & MOs

Info

ID:	172905
PubChem CID:	75570290
Reduced:	ClFNO2S2H15C19 (1)
Stoich.:	ABCD2E2F15G19 (1)
Weight, g/mol:	484.93219
ΔH_f, kcal/mol:	-52.51
Dipole, Da:	5.37
IP(EA), eV:	-8.73(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCN1C(=O)C(=CC2=CC=CC=C2OCC3=C(C=CC=C3Cl)F)SC1=S

DOS

IR

Vibrations