Geometry & MOs

Info

ID:

44564

PubChem CID:

10504087

Reduced:

SN2O5C24H30 (1)

Stoich.:

AB2C5D24E30 (1)

Weight, g/mol:

458.208443

ΔHf, kcal/mol:

-169.63

Dipole, Da:

5.48

IP(EA), eV:

 -8.54(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(4-ethoxy-2-oxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolan-3-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)O[C@H]1[C@H](SC2=C(C=C(C=C2)C)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations