Geometry & MOs

Info

ID:	171241
PubChem CID:	75348505
Reduced:	BrClNSO6H23C31 (1)
Stoich.:	ABCDE6F23G31 (1)
Weight, g/mol:	487.041185
ΔH_f, kcal/mol:	-135.53
Dipole, Da:	1.79
IP(EA), eV:	-8.54(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CCOC3=CC=CC4=CC=CC=C43)Br)OC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations