Geometry & MOs

Info

ID:	86691
PubChem CID:	49888521
Reduced:	SN2O2Cl3H17C26 (1)
Stoich.:	AB2C2D3E17F26 (1)
Weight, g/mol:	456.046604
ΔH_f, kcal/mol:	-4.98
Dipole, Da:	6.82
IP(EA), eV:	-8.63(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2CC3=C(C=CC=C3Cl)Cl)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations