Geometry & MOs

Info

ID:

44737

PubChem CID:

10505675

Reduced:

NO8C26H49 (1)

Stoich.:

AB8C26D49 (1)

Weight, g/mol:

503.270315

ΔHf, kcal/mol:

-425.32

Dipole, Da:

3.94

IP(EA), eV:

 -9.78(0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E,4S)-4-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-(2-ethoxy-2-oxoethyl)-4-oxoazetidin-2-yl]pent-2-enyl] benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)C)O

DOS

IR

Vibrations