Geometry & MOs

Info

ID:	124051
PubChem CID:	50871132
Reduced:	ClFNS2O5H15C20 (1)
Stoich.:	ABCD2E5F15G20 (1)
Weight, g/mol:	436.995856
ΔH_f, kcal/mol:	-159.93
Dipole, Da:	7.38
IP(EA), eV:	-8.76(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5E)-5-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)OCC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations