Geometry & MOs

Info

ID:

392806

PubChem CID:

135018016

Reduced:

NO8C41H47 (1)

Stoich.:

AB8C41D47 (1)

Weight, g/mol:

596.277404

ΔHf, kcal/mol:

-257.15

Dipole, Da:

6.01

IP(EA), eV:

 -9.38(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)CC[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations