Geometry & MOs

Info

ID:	128578
PubChem CID:	51051233
Reduced:	ClSN2O4H11C18 (1)
Stoich.:	ABC2D4E11F18 (1)
Weight, g/mol:	352.051778
ΔH_f, kcal/mol:	-61.49
Dipole, Da:	4.31
IP(EA), eV:	-9.61(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=O)S2)OC3=CC(=C(C=C3)C#N)Cl

DOS

IR

Vibrations