Geometry & MOs

Info

ID:	17152
PubChem CID:	486315
Reduced:	ClSN2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	260.017497
ΔH_f, kcal/mol:	70.31
Dipole, Da:	5.17
IP(EA), eV:	-9.1(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-(4-chlorophenyl)sulfanylbenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)SC2=CC=C(C=C2)Cl)C#N)N

DOS

IR

Vibrations