Geometry & MOs

Info

ID:

404062

PubChem CID:

135064819

Reduced:

PSiN4O13C50H61 (1)

Stoich.:

ABC4D13E50F61 (1)

Weight, g/mol:

984.374202

ΔHf, kcal/mol:

-551.43

Dipole, Da:

7.07

IP(EA), eV:

 -8.76(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[[[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-propa-1,2-dienylphosphoryl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[P@](=O)(C=C=C)OC3CC(OC3COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=C(C(=O)NC7=O)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations