Geometry & MOs

Info

ID:	88191
PubChem CID:	49902232
Reduced:	BrNSF3O4H13C22 (1)
Stoich.:	ABCD3E4F13G22 (1)
Weight, g/mol:	512.9801
ΔH_f, kcal/mol:	-227.96
Dipole, Da:	3.96
IP(EA), eV:	-9.09(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)OC(F)(F)F)/SC2=O)Br

DOS

IR

Vibrations