Geometry & MOs

Info

ID:	86966
PubChem CID:	49890274
Reduced:	ClSN2O6H19C23 (1)
Stoich.:	ABC2D6E19F23 (1)
Weight, g/mol:	494.96374
ΔH_f, kcal/mol:	-179.0
Dipole, Da:	2.01
IP(EA), eV:	-9.36(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CN2C(=O)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Cl)/SC2=O

DOS

IR

Vibrations