Geometry & MOs

Info

ID:	171159
PubChem CID:	75336946
Reduced:	ClINSO6H21C23 (1)
Stoich.:	ABCDE6F21G23 (1)
Weight, g/mol:	497.000586
ΔH_f, kcal/mol:	-177.13
Dipole, Da:	2.71
IP(EA), eV:	-9.24(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[[3-(4-chlorophenyl)sulfonyloxy-4-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)OCC)I)OCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations