Geometry & MOs

Info

ID:	392637
PubChem CID:	135017431
Reduced:	NO7C23H27 (1)
Stoich.:	AB7C23D27 (1)
Weight, g/mol:	539.051664
ΔH_f, kcal/mol:	-270.09
Dipole, Da:	7.83
IP(EA), eV:	-9.39(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6R)-4,5-diacetyloxy-2-(phenylmethoxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] acetate

Drug info:

PubChemData

Smile

CCCCCNC1=C(C(C2=C(O1)C3=CC=CC=C3OC2=O)C(=O)OCC)C(=O)OCC

DOS

IR

Vibrations