Geometry & MOs

Info

ID:

227503

PubChem CID:

87561880

Reduced:

SiO6C24H40 (1)

Stoich.:

AB6C24D40 (1)

Weight, g/mol:

519.203922

ΔHf, kcal/mol:

-300.07

Dipole, Da:

3.65

IP(EA), eV:

 -9.32(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-2-tert-butyl-4-[5-methyl-6-[4-[(2-oxo-1,3,2-dioxathian-5-yl)methyl]phenoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C[Si](C)(C)OC[C@H]1[C@@H](C[C@H]2[C@@H]1C=CC[C@@H](O2)/C=C/C(=O)O)OC3CCCCO3

DOS

IR

Vibrations