Geometry & MOs

Info

ID:

398326

PubChem CID:

135032830

Reduced:

NOC8H10 (1)

Stoich.:

ABC8D10 (1)

Weight, g/mol:

972.51628

ΔHf, kcal/mol:

-13.09

Dipole, Da:

5.8

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.863387

Charge, e:

0

Chem-info

IUPAC name:

1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[(5R)-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-5-yl]methyl]-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)[C]1C=CN(C=C1)C

DOS

IR

Vibrations