Geometry & MOs

Info

ID:	234425
PubChem CID:	92298411
Reduced:	NSO2F3C14H18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	328.167459
ΔH_f, kcal/mol:	-231.55
Dipole, Da:	5.69
IP(EA), eV:	-9.54(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,6R)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C

DOS

IR

Vibrations