Geometry & MOs

Info

ID:	382353
PubChem CID:	134973445
Reduced:	SO13C23H30 (1)
Stoich.:	AB13C23D30 (1)
Weight, g/mol:	518.15366
ΔH_f, kcal/mol:	-567.42
Dipole, Da:	5.41
IP(EA), eV:	-10.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCO[C@H]2C(C([C@H](C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations