Geometry & MOs

Info

ID:	87537
PubChem CID:	49895246
Reduced:	NSF2O4H17C20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	538.01981
ΔH_f, kcal/mol:	-208.34
Dipole, Da:	3.51
IP(EA), eV:	-9.34(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC(F)F)OC)/SC2=O

DOS

IR

Vibrations