Geometry & MOs

Info

ID:	88093
PubChem CID:	49900908
Reduced:	ClNSO3H20C28 (1)
Stoich.:	ABCD3E20F28 (1)
Weight, g/mol:	493.03473
ΔH_f, kcal/mol:	-31.79
Dipole, Da:	1.54
IP(EA), eV:	-8.94(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)/C(=C/C4=C(C=CC(=C4)CC5=CC=CC=C5Cl)O)/SC3=O

DOS

IR

Vibrations