Geometry & MOs

Info

ID:

46770

PubChem CID:

10527161

Reduced:

FeOH22C29 (1)

Stoich.:

ABC22D29 (1)

Weight, g/mol:

442.162768

ΔHf, kcal/mol:

103.64

Dipole, Da:

1.29

IP(EA), eV:

 -8.36(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,3aR,6S,6aS)-5-acetyloxy-3,6a-bis(phenylmethoxy)-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C=CC3=C(O2)C=CC4=CC=CC=C43)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.[Fe+2]

DOS

IR

Vibrations