Geometry & MOs

Info

ID:	124034
PubChem CID:	50870321
Reduced:	ClFNO2S2H15C23 (1)
Stoich.:	ABCD2E2F15G23 (1)
Weight, g/mol:	528.98173
ΔH_f, kcal/mol:	-11.96
Dipole, Da:	6.4
IP(EA), eV:	-8.74(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)OCC4=C(C=CC=C4Cl)F)/SC2=S

DOS

IR

Vibrations