Geometry & MOs

Info

ID:

395290

PubChem CID:

135025100

Reduced:

ISiO5C34H59 (1)

Stoich.:

ABC5D34E59 (1)

Weight, g/mol:

433.171165

ΔHf, kcal/mol:

-295.43

Dipole, Da:

2.01

IP(EA), eV:

 -8.85(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R,6S)-4-ethenyl-6-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane

Drug info:

PubChemData

Smile

C[C@H](C[C@H]1CCC[C@H](O1)C[C@H]2C[C@H](C[C@H](O2)CC(=O)O[C@@H](/C=C/I)[C@@H](C)C=C)O[Si](C(C)C)(C(C)C)C(C)C)C=C

DOS

IR

Vibrations