Geometry & MOs

Info

ID:	87205
PubChem CID:	49893061
Reduced:	INSCl2O4H16C20 (1)
Stoich.:	ABCD2E4F16G20 (1)
Weight, g/mol:	528.02739
ΔH_f, kcal/mol:	-98.95
Dipole, Da:	6.4
IP(EA), eV:	-8.8(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)I)OC

DOS

IR

Vibrations