Geometry & MOs

Info

ID:	87160
PubChem CID:	49892796
Reduced:	NSO2Cl4H9C17 (1)
Stoich.:	ABC2D4E9F17 (1)
Weight, g/mol:	406.978584
ΔH_f, kcal/mol:	-49.07
Dipole, Da:	2.1
IP(EA), eV:	-9.75(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)Cl)Cl

DOS

IR

Vibrations