Geometry & MOs

Info

ID:	171054
PubChem CID:	75317839
Reduced:	BrFNSO4H15C19 (1)
Stoich.:	ABCDE4F15G19 (1)
Weight, g/mol:	407.039435
ΔH_f, kcal/mol:	-132.05
Dipole, Da:	3.01
IP(EA), eV:	-8.69(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3F)Br)OC

DOS

IR

Vibrations