Geometry & MOs

Info

ID:	86745
PubChem CID:	49888828
Reduced:	NSO3Cl4H9C17 (1)
Stoich.:	ABC3D4E9F17 (1)
Weight, g/mol:	615.949
ΔH_f, kcal/mol:	-91.25
Dipole, Da:	1.83
IP(EA), eV:	-9.59(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2,6-dibromophenoxy]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=C(C(=C(C=C3Cl)Cl)O)Cl)/SC2=O)Cl

DOS

IR

Vibrations