Geometry & MOs

Info

ID:

404326

PubChem CID:

135065894

Reduced:

PSN4O14C70H75 (1)

Stoich.:

ABC4D14E70F75 (1)

Weight, g/mol:

1236.34001

ΔHf, kcal/mol:

-475.89

Dipole, Da:

4.63

IP(EA), eV:

 -8.88(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[[[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-propa-1,2-dienylphosphinoselenoyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCCC=C=CP(=S)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)OC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OC6CC(OC6COC(C7=CC=CC=C7)(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)N1C=C(C(=O)NC1=O)C

DOS

IR

Vibrations