Geometry & MOs

Info

ID:

43997

PubChem CID:

10322816

Reduced:

O2N3H24C25 (1)

Stoich.:

A2B3C24D25 (1)

Weight, g/mol:

478.162768

ΔHf, kcal/mol:

32.57

Dipole, Da:

1.95

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.004401

Charge, e:

 0

Chem-info

IUPAC name:

4-[(3R)-3-(hydroxymethyl)-6-[(3R)-3-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol

Drug info:

PubChemData

Smile

CC[N+]1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations