Geometry & MOs

Info

ID:	12789
PubChem CID:	145581
Reduced:	ClSN2O2H3C7 (1)
Stoich.:	ABC2D2E3F7 (1)
Weight, g/mol:	213.960376
ΔH_f, kcal/mol:	55.8
Dipole, Da:	4.09
IP(EA), eV:	-9.38(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-isothiocyanato-2-nitrobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations