Geometry & MOs

Info

ID:	88008
PubChem CID:	49899693
Reduced:	NSCl3O3H16C24 (1)
Stoich.:	ABC3D3E16F24 (1)
Weight, g/mol:	486.057169
ΔH_f, kcal/mol:	-51.63
Dipole, Da:	6.24
IP(EA), eV:	-9.05(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl)Cl

DOS

IR

Vibrations