Geometry & MOs

Info

ID:	86567
PubChem CID:	49887178
Reduced:	ClNSO4H20C25 (1)
Stoich.:	ABCD4E20F25 (1)
Weight, g/mol:	461.02964
ΔH_f, kcal/mol:	-73.05
Dipole, Da:	3.25
IP(EA), eV:	-9.05(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=CC=C(C=C2)Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4

DOS

IR

Vibrations