Geometry & MOs

Info

ID:	382351
PubChem CID:	134973443
Reduced:	SO13C23H30 (1)
Stoich.:	AB13C23D30 (1)
Weight, g/mol:	518.15366
ΔH_f, kcal/mol:	-563.56
Dipole, Da:	6.53
IP(EA), eV:	-10.2(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,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