Geometry & MOs

Info

ID:	88226
PubChem CID:	49902435
Reduced:	NBr2S2O6H19C25 (1)
Stoich.:	AB2C2D6E19F25 (1)
Weight, g/mol:	436.101227
ΔH_f, kcal/mol:	-140.92
Dipole, Da:	8.78
IP(EA), eV:	-9.19(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-[(3-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)Br)OS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations