Geometry & MOs

Info

ID:	6410
PubChem CID:	68547
Reduced:	SN2O3H8C13 (1)
Stoich.:	AB2C3D8E13 (1)
Weight, g/mol:	272.025563
ΔH_f, kcal/mol:	49.72
Dipole, Da:	3.65
IP(EA), eV:	-9.18(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isothiocyanato-4-(4-nitrophenoxy)benzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N=C=S)OC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations