Geometry & MOs

Info

ID:	85124
PubChem CID:	49871970
Reduced:	NO2F4C32H35 (1)
Stoich.:	AB2C4D32E35 (1)
Weight, g/mol:	467.242021
ΔH_f, kcal/mol:	-265.45
Dipole, Da:	2.6
IP(EA), eV:	-9.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[4-[5-(2-cyclohexyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]propane-1,2-diol

Drug info:

PubChemData

Smile

CCCC(C)(C1=CC(=C(C=C1)C(C2=CC=C(C=C2)F)N3CCC(C3)(C)C)C4=CC=C(C=C4)C(F)(F)F)C(=O)O

DOS

IR

Vibrations