Geometry & MOs

Info

ID:	5287
PubChem CID:	12905
Reduced:	NCl2S2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	326.970997
ΔH_f, kcal/mol:	52.9
Dipole, Da:	1.62
IP(EA), eV:	-9.12(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-[(4-chlorophenyl)methylsulfanyl]methanimidothioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CSC(=NC2=CC=C(C=C2)Cl)S)Cl

DOS

IR

Vibrations