Geometry & MOs

Info

ID:

220167

PubChem CID:

85165318

Reduced:

F2N4O7C35H38 (1)

Stoich.:

A2B4C7D35E38 (1)

Weight, g/mol:

666.257731

ΔHf, kcal/mol:

-226.0

Dipole, Da:

8.74

IP(EA), eV:

-6.57(-0.93)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-benzoyl-1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C2=C(C(N3C(C2)C4C5=C(CC(C3C#N)N4C)C(=C(C(=C5O)OC)C)OC)CNC(=O)C6=C(C=CC=C6F)F)C(=C1OC)O)OC

DOS

IR

Vibrations