Geometry & MOs

Info

ID:

380727

PubChem CID:

134971255

Reduced:

O17C61H94 (1)

Stoich.:

A17B61C94 (1)

Weight, g/mol:

466.07848

ΔHf, kcal/mol:

-718.91

Dipole, Da:

8.11

IP(EA), eV:

 -7.18(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC/C/1=C\C(CC(C(C(CCCC2(C=C(C(CC23C(=O)/C(=C(/C4(C1C(=CC5C4C(C(=O)CC5O)C)C)CC)\O)/C(=O)O3)C)C)C)C)O[C@H]6C[C@H]([C@@H](C(O6)C)O[C@@H]7C[C@H]([C@@H](C(O7)C)O[C@H]8C[C@H]([C@@H](C(O8)C)O)O)OC)O)C)CO

DOS

IR

Vibrations