Geometry & MOs

Info

ID:

83613

PubChem CID:

49858856

Reduced:

NO5C28H31 (1)

Stoich.:

AB5C28D31 (1)

Weight, g/mol:

365.111067

ΔHf, kcal/mol:

-169.82

Dipole, Da:

3.83

IP(EA), eV:

 -8.18(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2R)-2-[(3aR,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethoxy]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCCCC[C@]12CC3=CC(=C(C=C3[C@H](O1)C4=C(O2)C=C(N(C4=O)C5=CC=CC=C5)C)OC)OC

DOS

IR

Vibrations