Geometry & MOs

Info

ID:

413040

PubChem CID:

135085984

Reduced:

PSiN4O13C47H59 (1)

Stoich.:

ABC4D13E47F59 (1)

Weight, g/mol:

946.358552

ΔHf, kcal/mol:

-575.79

Dipole, Da:

9.32

IP(EA), eV:

 -8.93(-0.38)

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]oxyphosphonoyloxymethyl]-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@@H](=O)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