Geometry & MOs

Info

ID:	16362
PubChem CID:	465526
Reduced:	NSCl2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	280.983276
ΔH_f, kcal/mol:	50.07
Dipole, Da:	2.53
IP(EA), eV:	-9.09(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-chlorophenyl)benzenecarboximidothioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=NC2=CC=C(C=C2)Cl)S)Cl

DOS

IR

Vibrations