Geometry & MOs

Info

ID:	441516
PubChem CID:	135235651
Reduced:	FO3N4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	508.052762
ΔH_f, kcal/mol:	-57.84
Dipole, Da:	3.36
IP(EA), eV:	-8.53(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2-difluoro-2-[5-[3-(4-fluoro-2-methoxyphenyl)pyridin-2-yl]oxypyridin-2-yl]ethyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CN(CCOC)C1=NC=C(C=N1)OC2=C(C=CC=N2)C3=C(C=C(C=C3)F)OC

DOS

IR

Vibrations