Geometry & MOs

Info

ID:	425258
PubChem CID:	135125683
Reduced:	SF2O3N4C23H24 (1)
Stoich.:	AB2C3D4E23F24 (1)
Weight, g/mol:	403.130814
ΔH_f, kcal/mol:	-78.9
Dipole, Da:	7.9
IP(EA), eV:	-9.15(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;5-[6-[3-(2-cyclobutyloxypyridin-4-yl)-3-fluorocyclobutyl]pyridin-3-yl]-1,2-oxazol-3-olate

Drug info:

PubChemData

Smile

CC(C#C)OC1=NC=C(N=C1)/C(=C/C2=CC(=C(C=C2)F)C3(CS(=O)(=O)C(C(=N3)N)(C)C)C)/F

DOS

IR

Vibrations