Geometry & MOs

Info

ID:	389720
PubChem CID:	134994711
Reduced:	ClN2O2C8H9 (1)
Stoich.:	AB2C2D8E9 (1)
Weight, g/mol:	178.05647
ΔH_f, kcal/mol:	4.08
Dipole, Da:	4.63
IP(EA), eV:	-10.39(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(dimethyl-lambda4-sulfanylidene)amino]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[C@@H](CCl)N)[N+](=O)[O-]

DOS

IR

Vibrations