Geometry & MOs

Info

ID:	86946
PubChem CID:	49890104
Reduced:	FNSCl2O3H10C17 (1)
Stoich.:	ABCD2E3F10G17 (1)
Weight, g/mol:	515.076963
ΔH_f, kcal/mol:	-123.02
Dipole, Da:	2.96
IP(EA), eV:	-9.6(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)O)Cl)/SC2=O)F

DOS

IR

Vibrations