Geometry & MOs

Info

ID:

175909

PubChem CID:

75967296

Reduced:

FNO3C20H22 (1)

Stoich.:

ABC3D20E22 (1)

Weight, g/mol:

1224.401458

ΔHf, kcal/mol:

-143.84

Dipole, Da:

3.93

IP(EA), eV:

-8.65(-0.68)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[2-[[6-[4,5-dihydroxy-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCN1CCC2=C3C1CC4=C(C3=CC(=C2)OCCF)C(=C(C=C4)O)O

DOS

IR

Vibrations