Geometry & MOs

Info

ID:	171129
PubChem CID:	75331261
Reduced:	BrSCl2N2O4H13C19 (1)
Stoich.:	ABC2D2E4F13G19 (1)
Weight, g/mol:	477.02456
ΔH_f, kcal/mol:	-111.58
Dipole, Da:	1.98
IP(EA), eV:	-9.45(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CN2C(=O)C(=CC3=C(C=CC(=C3)Br)OCC(=O)N)SC2=O)Cl

DOS

IR

Vibrations