Geometry & MOs

Info

ID:

396641

PubChem CID:

135028975

Reduced:

O9C37H40 (1)

Stoich.:

A9B37C40 (1)

Weight, g/mol:

636.257062

ΔHf, kcal/mol:

-287.02

Dipole, Da:

5.12

IP(EA), eV:

 -9.18(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-1-[2,4-dimethoxy-6-phenylmethoxy-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-3-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(=O)OC1[C@@H](OC([C@H](C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4)C5=C(C=C(C=C5OC)O)OC

DOS

IR

Vibrations