Geometry & MOs

Info

ID:	171175
PubChem CID:	75339359
Reduced:	NSO4C16H17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	419.005278
ΔH_f, kcal/mol:	-150.96
Dipole, Da:	3.07
IP(EA), eV:	-9.22(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C=C2C(=O)N(C(=O)S2)CC(=O)OC)C

DOS

IR

Vibrations