Geometry & MOs

Info

ID:	82224
PubChem CID:	49855778
Reduced:	O6C15H22 (1)
Stoich.:	A6B15C22 (1)
Weight, g/mol:	502.04746
ΔH_f, kcal/mol:	-252.78
Dipole, Da:	2.24
IP(EA), eV:	-9.49(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(4-bromophenoxy)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

DOS

IR

Vibrations