Geometry & MOs

Info

ID:	297800
PubChem CID:	117631722
Reduced:	N2F3O3C23H23 (1)
Stoich.:	A2B3C3D23E23 (1)
Weight, g/mol:	504.287574
ΔH_f, kcal/mol:	-242.92
Dipole, Da:	4.32
IP(EA), eV:	-9.31(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R,5R,6R)-4,5-dibenzyl-6-(1-hydroxy-2-phenylethyl)-2-pentyloxane-2,4,5-triol

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations