Geometry & MOs

Info

ID:	338873
PubChem CID:	127259884
Reduced:	BrNSO5H10C13 (1)
Stoich.:	ABCD5E10F13 (1)
Weight, g/mol:	311.026372
ΔH_f, kcal/mol:	-74.38
Dipole, Da:	4.77
IP(EA), eV:	-9.74(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-2-nitrophenyl) phenylmethanesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)(=O)OC2=C(C=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations