Geometry & MOs

Info

ID:

413967

PubChem CID:

135086919

Reduced:

O6C13H16 (1)

Stoich.:

A6B13C16 (1)

Weight, g/mol:

1149.372086

ΔHf, kcal/mol:

-185.59

Dipole, Da:

3.43

IP(EA), eV:

-10.3(0.13)

Spin(Sz, S2):

None, None

Charge, e:

1

Chem-info

IUPAC name:

[3-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylidenephosphanium

Drug info:

PubChemData

Smile

COC(=O)C(CC#CCO)(CC#CCO)C(=O)OC

DOS

IR

Vibrations