Geometry & MOs

Info

ID:	393253
PubChem CID:	135019888
Reduced:	O11C13H24 (1)
Stoich.:	A11B13C24 (1)
Weight, g/mol:	410.119722
ΔH_f, kcal/mol:	-496.79
Dipole, Da:	5.48
IP(EA), eV:	-10.53(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-6-ethyl-5-methyl-2-[[3-(1,1,1-trifluoropropan-2-yl)phenyl]methyldisulfanyl]oxane-3,4-diol

Drug info:

PubChemData

Smile

CO[C@H]1C(C([C@@H](O1)[C@@H](CO[C@H]2C(C([C@@H](O2)[C@@H](CO)O)O)O)O)O)O

DOS

IR

Vibrations