Geometry & MOs

Info

ID:

391750

PubChem CID:

135009199

Reduced:

N3O5H40C41 (1)

Stoich.:

A3B5C40D41 (1)

Weight, g/mol:

655.304621

ΔHf, kcal/mol:

13.42

Dipole, Da:

3.77

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.934309

Charge, e:

 0

Chem-info

IUPAC name:

4-cyclopenta-1,3-dien-1-yl-1-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]triazole

Drug info:

PubChemData

Smile

[CH-]1C=CC=C1C2=CN(N=N2)[C@H]3C(C([C@@H](C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations