Geometry & MOs

Info

ID:	147067
PubChem CID:	53786655
Reduced:	SN2O3H8C9 (1)
Stoich.:	AB2C3D8E9 (1)
Weight, g/mol:	505.93104
ΔH_f, kcal/mol:	-13.29
Dipole, Da:	7.39
IP(EA), eV:	-9.5(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(2-bromo-1,1,2,2-tetrafluoroethoxy)phenoxy]propoxy]-3,5-dichlorophenol

Drug info:

PubChemData

Smile

C1C(=O)N(CS1)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations