Geometry & MOs

Info

ID:	86928
PubChem CID:	49890025
Reduced:	FNSCl2O4H18C25 (1)
Stoich.:	ABCD2E4F18G25 (1)
Weight, g/mol:	505.172308
ΔH_f, kcal/mol:	-131.06
Dipole, Da:	3.29
IP(EA), eV:	-8.66(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[2-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]-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)F)OCC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations