Geometry & MOs

Info

ID:	86804
PubChem CID:	49889455
Reduced:	ClFNS2O6H17C24 (1)
Stoich.:	ABCD2E6F17G24 (1)
Weight, g/mol:	652.93275
ΔH_f, kcal/mol:	-194.13
Dipole, Da:	4.57
IP(EA), eV:	-9.32(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxy-6-iodophenyl] benzoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)Cl)OS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations