Geometry & MOs

Info

ID:	299921
PubChem CID:	117934896
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	569.243638
ΔH_f, kcal/mol:	-10.47
Dipole, Da:	2.32
IP(EA), eV:	-8.77(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3S,4R)-1-[(2S,4S,5S)-6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxyheptan-2-yl]-3-[4-(4-fluorophenoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)CN1CCC(CC1)(C#N)C2=NC(=CC=C2)OC

DOS

IR

Vibrations