Geometry & MOs

Info

ID:	409271
PubChem CID:	135082051
Reduced:	AlO2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	646.242281
ΔH_f, kcal/mol:	-130.22
Dipole, Da:	3.39
IP(EA), eV:	-8.54(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-[bis(methylsulfanyl)methyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

Drug info:

PubChemData

Smile

CC[Al](CC)OC1=CC=CC=C1OC

DOS

IR

Vibrations