Geometry & MOs

Info

ID:	86960
PubChem CID:	49890249
Reduced:	NSF2O4H19C25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	560.98125
ΔH_f, kcal/mol:	-160.58
Dipole, Da:	6.68
IP(EA), eV:	-8.87(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)OCC4=CC=C(C=C4)F

DOS

IR

Vibrations