Geometry & MOs

Info

ID:	87123
PubChem CID:	49892543
Reduced:	FNCl2S2O6H18C25 (1)
Stoich.:	ABC2D2E6F18G25 (1)
Weight, g/mol:	437.025535
ΔH_f, kcal/mol:	-210.29
Dipole, Da:	4.22
IP(EA), eV:	-9.16(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,4-dichlorophenyl)methyl]-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3F)Cl)OS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations