Geometry & MOs

Info

ID:

45167

PubChem CID:

10508628

Reduced:

PN5O16C20H32 (1)

Stoich.:

AB5C16D20E32 (1)

Weight, g/mol:

669.272653

ΔHf, kcal/mol:

-752.54

Dipole, Da:

9.87

IP(EA), eV:

 -10.02(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyisoindol-1-one

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CN)O

DOS

IR

Vibrations