Geometry & MOs

Info

ID:

160932

PubChem CID:

57390288

Reduced:

N4H22C23 (1)

Stoich.:

A4B22C23 (1)

Weight, g/mol:

552.220677

ΔHf, kcal/mol:

101.88

Dipole, Da:

3.22

IP(EA), eV:

 -7.9(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,4S,5S,6R)-2-[4-[[(3S,4S,5R)-5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CC=C(C=C2)C3=CNC4=C3C=C(C=C4)C5=CN=CC=C5

DOS

IR

Vibrations