Geometry & MOs

Info

ID:	86916
PubChem CID:	49889990
Reduced:	FSN2O5H11C17 (1)
Stoich.:	ABC2D5E11F17 (1)
Weight, g/mol:	531.047413
ΔH_f, kcal/mol:	-112.18
Dipole, Da:	5.76
IP(EA), eV:	-9.95(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(2,6-dichlorophenyl)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=C(C=CC(=C3)[N+](=O)[O-])O)/SC2=O)F

DOS

IR

Vibrations