Geometry & MOs

Info

ID:	20806
PubChem CID:	585802
Reduced:	SN2O2H10C13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	258.046299
ΔH_f, kcal/mol:	70.1
Dipole, Da:	6.36
IP(EA), eV:	-8.41(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-nitrophenyl)methylideneamino]benzenethiol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=NC2=CC=CC=C2S)[N+](=O)[O-]

DOS

IR

Vibrations