Geometry & MOs

Info

ID:

141680

PubChem CID:

52914682

Reduced:

O4C12H17 (2)

Stoich.:

A4B12C17 (2)

Weight, g/mol:

569.37478

ΔHf, kcal/mol:

-360.72

Dipole, Da:

5.48

IP(EA), eV:

 -10.39(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (4R)-4-[(E)-2-[(2R,3S,4S,5S,6S)-6-(2-ethoxy-2-oxoethyl)-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]prop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]1[C@@]2(COC(=O)[C@]34[C@H]2[C@H](C[C@@H](C3)C(=C)[C@H]4O)O)[C@H](CCC1(C)C)OC(=O)C

DOS

IR

Vibrations