Geometry & MOs

Info

ID:	87561
PubChem CID:	49895425
Reduced:	ClFINSO4H20C26 (1)
Stoich.:	ABCDEF4G20H26 (1)
Weight, g/mol:	433.114793
ΔH_f, kcal/mol:	-111.9
Dipole, Da:	4.44
IP(EA), eV:	-9.12(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)I)OCC4=C(C=CC=C4Cl)F)OC)/SC2=O

DOS

IR

Vibrations