Geometry & MOs

Info

ID:

391963

PubChem CID:

135011402

Reduced:

NPSO6C26H32 (1)

Stoich.:

ABCD6E26F32 (1)

Weight, g/mol:

824.547399

ΔHf, kcal/mol:

-259.2

Dipole, Da:

5.77

IP(EA), eV:

 -9.39(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4E,6S)-6-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylethoxymethoxy)butyl]-2-methoxy-2-(2-methyl-1-phenylmethoxypropan-2-yl)-4-[2-tri(propan-2-yl)silyloxyethylidene]oxan-3-ol

Drug info:

PubChemData

Smile

CCOP(=O)(C(=C(C)C1=C(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C)C3=CC=CC=C3)OCC

DOS

IR

Vibrations