Geometry & MOs

Info

ID:

396240

PubChem CID:

135027841

Reduced:

SiO8C35H58 (1)

Stoich.:

AB8C35D58 (1)

Weight, g/mol:

442.07797

ΔHf, kcal/mol:

-426.72

Dipole, Da:

3.29

IP(EA), eV:

 -8.64(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (3S,4S,6S)-4-(4-bromophenyl)-2-oxo-6-phenyl-6-prop-2-enyloxane-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@](/C=C(/C(=O)[C@@H](C[C@@]([C@@H](C[C@@H]([C@H](C(=O)O1)C)O[Si](C)(C)C(C)(C)C)OCC2=CC=C(C=C2)OC)(C)OC)C)\C)(C)O

DOS

IR

Vibrations