Geometry & MOs

Info

ID:

376878

PubChem CID:

134222908

Reduced:

FO4N7C32H32 (1)

Stoich.:

AB4C7D32E32 (1)

Weight, g/mol:

452.204633

ΔHf, kcal/mol:

-88.13

Dipole, Da:

7.2

IP(EA), eV:

 -8.9(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy-3-methoxy-5-methylphenyl]-2-methylpropane-1,3-diol

Drug info:

PubChemData

Smile

CC1=CC(C2=C(O1)C=CC(=C2)C(C)C)NC(=O)C3CC(CN3C(=O)CN4C5=C(C=C(C=C5)C6=CN=NC=C6)C(=N4)C(=O)N)F

DOS

IR

Vibrations