Geometry & MOs

Info

ID:	86975
PubChem CID:	49890295
Reduced:	NSCl2O4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	436.989149
ΔH_f, kcal/mol:	-114.86
Dipole, Da:	4.06
IP(EA), eV:	-8.92(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-ethoxyphenyl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=O)S2)Cl)OCC3=CC=CC=C3Cl

DOS

IR

Vibrations