Geometry & MOs

Info

ID:	88050
PubChem CID:	49900204
Reduced:	SCl2N2O5H20C23 (1)
Stoich.:	AB2C2D5E20F23 (1)
Weight, g/mol:	581.94325
ΔH_f, kcal/mol:	-130.8
Dipole, Da:	6.49
IP(EA), eV:	-8.81(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)Cl)OCC(=O)NC4CC4

DOS

IR

Vibrations