Geometry & MOs

Info

ID:	8123
PubChem CID:	75044
Reduced:	SN2O2H4C7 (1)
Stoich.:	AB2C2D4E7 (1)
Weight, g/mol:	179.999349
ΔH_f, kcal/mol:	58.98
Dipole, Da:	2.89
IP(EA), eV:	-9.54(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isothiocyanato-4-nitrobenzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N=C=S)[N+](=O)[O-]

DOS

IR

Vibrations