Geometry & MOs

Info

ID:

214995

PubChem CID:

85083970

Reduced:

NSF3O7H28C35 (1)

Stoich.:

ABC3D7E28F35 (1)

Weight, g/mol:

664.278777

ΔHf, kcal/mol:

-299.87

Dipole, Da:

4.84

IP(EA), eV:

 -8.69(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-3-yl]oxy-(butylamino)-oxophosphanium

Drug info:

PubChemData

Smile

COC(=O)CC1=C(CN(C1C(=O)OCC2=CC=CC=C2)C3(C4=CC=CC=C4C5=CC=CC=C53)C6=CC=CC=C6)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations