Geometry & MOs

Info

ID:	86926
PubChem CID:	49890014
Reduced:	SN2Cl3O4H17C25 (1)
Stoich.:	AB2C3D4E17F25 (1)
Weight, g/mol:	470.99401
ΔH_f, kcal/mol:	-99.31
Dipole, Da:	2.75
IP(EA), eV:	-9.15(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)OCC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations