Geometry & MOs

Info

ID:	87249
PubChem CID:	49893440
Reduced:	FINSCl2O4H19C26 (1)
Stoich.:	ABCDE2F4G19H26 (1)
Weight, g/mol:	462.960348
ΔH_f, kcal/mol:	-118.2
Dipole, Da:	5.07
IP(EA), eV:	-8.72(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[[5-(3,5-dichlorophenyl)furan-2-yl]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=C3Cl)I)OCC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations