Geometry & MOs

Info

ID:	83066
PubChem CID:	49857086
Reduced:	NO4H7C12 (1)
Stoich.:	AB4C7D12 (1)
Weight, g/mol:	376.963949
ΔH_f, kcal/mol:	-20.98
Dipole, Da:	4.14
IP(EA), eV:	-9.36(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-nitrodibenzothiophen-4-yl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=CC(=C3O2)O)[N+](=O)[O-]

DOS

IR

Vibrations