Geometry & MOs

Info

ID:	248398
PubChem CID:	103081327
Reduced:	SF2N2O5C11H14 (1)
Stoich.:	AB2C2D5E11F14 (1)
Weight, g/mol:	324.98736
ΔH_f, kcal/mol:	-221.23
Dipole, Da:	8.95
IP(EA), eV:	-9.74(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-5-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)NCCOCC(F)F)[N+](=O)[O-]

DOS

IR

Vibrations