Geometry & MOs

Info

ID:	248397
PubChem CID:	103081322
Reduced:	OF2N5C10H13 (1)
Stoich.:	AB2C5D10E13 (1)
Weight, g/mol:	324.059149
ΔH_f, kcal/mol:	-70.52
Dipole, Da:	2.28
IP(EA), eV:	-8.97(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,2-difluoroethoxy)ethyl]-4-methylsulfonyl-2-nitroaniline

Drug info:

PubChemData

Smile

CN1C2=NC=NC(=C2C=N1)NCCOCC(F)F

DOS

IR

Vibrations