Geometry & MOs

Info

ID:

394306

PubChem CID:

135022744

Reduced:

O3C11H14 (3)

Stoich.:

A3B11C14 (3)

Weight, g/mol:

369.155178

ΔHf, kcal/mol:

-391.12

Dipole, Da:

5.82

IP(EA), eV:

 -9.66(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-benzyl-3-[(2S)-2-[(2R)-1,1,1-trifluorobutan-2-yl]pent-4-enoyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@]2([C@H]([C@H]1OC(=O)C)/C=C(/[C@@H](C[C@H](C(C/C=C(/C2=O)\C)(C)C)OC(=O)C)OC(=O)C3=CC=CC=C3)\C)OC(=O)C

DOS

IR

Vibrations