Geometry & MOs

Info

ID:	88262
PubChem CID:	49902685
Reduced:	BrISN2O4H18C24 (1)
Stoich.:	ABCD2E4F18G24 (1)
Weight, g/mol:	512.9801
ΔH_f, kcal/mol:	-36.51
Dipole, Da:	3.51
IP(EA), eV:	-9.03(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)I)OCC4=CC=CC=N4

DOS

IR

Vibrations