Geometry & MOs

Info

ID:	398590
PubChem CID:	135034111
Reduced:	NSO3C18H23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	556.226117
ΔH_f, kcal/mol:	-70.07
Dipole, Da:	5.51
IP(EA), eV:	-9.65(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S,5R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] benzoate

Drug info:

PubChemData

Smile

C[C@@H]1C2(C(C(C2=NS(=O)(=O)C3=CC=C(C=C3)C)CO1)C)CC=C

DOS

IR

Vibrations