Geometry & MOs

Info

ID:	86686
PubChem CID:	49888516
Reduced:	ClNS2O4H24C30 (1)
Stoich.:	ABC2D4E24F30 (1)
Weight, g/mol:	479.095807
ΔH_f, kcal/mol:	-57.83
Dipole, Da:	6.9
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[[4-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)OCCSC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations