Geometry & MOs

Info

ID:	86896
PubChem CID:	49889932
Reduced:	FINSCl3O4H16C25 (1)
Stoich.:	ABCDE3F4G16H25 (1)
Weight, g/mol:	636.9623
ΔH_f, kcal/mol:	-121.29
Dipole, Da:	6.41
IP(EA), eV:	-9.06(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)I)OCC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations