Geometry & MOs

Info

ID:	86727
PubChem CID:	49888726
Reduced:	NSCl3O4H18C25 (1)
Stoich.:	ABC3D4E18F25 (1)
Weight, g/mol:	514.0212
ΔH_f, kcal/mol:	-91.75
Dipole, Da:	4.94
IP(EA), eV:	-9.04(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations