Geometry & MOs

Info

ID:	86582
PubChem CID:	49887382
Reduced:	SN2O2Cl3H17C26 (1)
Stoich.:	AB2C2D3E17F26 (1)
Weight, g/mol:	456.046604
ΔH_f, kcal/mol:	-1.51
Dipole, Da:	7.05
IP(EA), eV:	-8.59(-1.0)
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-[(2-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC5=C(C=CC=C5Cl)Cl)/SC2=O)Cl

DOS

IR

Vibrations