Geometry & MOs

Info

ID:

125167

PubChem CID:

50912892

Reduced:

N2F3O3C30H31 (1)

Stoich.:

A2B3C3D30E31 (1)

Weight, g/mol:

746.257456

ΔHf, kcal/mol:

-207.53

Dipole, Da:

10.7

IP(EA), eV:

 -9.57(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2R,3R,4S,5S,6S)-5,6-dihydroxy-4-[(1R)-1-hydroxy-3-(4-methylphenyl)propoxy]-3-[1-hydroxy-3-(4-methylphenyl)propoxy]oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

Drug info:

PubChemData

Smile

C1CC[C@]23CCN[C@H]([C@H]2C1)CC4=CC(=C(C=C34)O)NC5=CC=CC=C5C6=CC=CC=C6.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations