Geometry & MOs

Info

ID:	325665
PubChem CID:	126684402
Reduced:	SF2O5C19H28 (1)
Stoich.:	AB2C5D19E28 (1)
Weight, g/mol:	294.183109
ΔH_f, kcal/mol:	-325.66
Dipole, Da:	2.85
IP(EA), eV:	-9.32(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-4-[(1R,2S)-1-hydroxy-2,4-dimethylpentyl]-2-phenyl-1,3-dioxan-5-ol

Drug info:

PubChemData

Smile

CC(C)(C)CC(C1=CC=C(C=C1)COC(=O)C(F)(F)S(=O)(=O)O)C(C)(C)C

DOS

IR

Vibrations