Geometry & MOs

Info

ID:

397897

PubChem CID:

135030925

Reduced:

N2O14C39H46 (1)

Stoich.:

A2B14C39D46 (1)

Weight, g/mol:

672.27569

ΔHf, kcal/mol:

-558.11

Dipole, Da:

8.53

IP(EA), eV:

 -8.13(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[(2-propan-2-ylsulfinylphenyl)methoxy]oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC2=C(N1)C=CC(=C2C3=C(NC4=C3C(=C(C=C4)OC)C(C(=O)OCC)C(=O)OCC)C(C(=O)OCC)C(=O)OCC)OC)C(=O)OCC

DOS

IR

Vibrations