Geometry & MOs

Info

ID:

386458

PubChem CID:

134981815

Reduced:

Si3O5C55H88 (1)

Stoich.:

A3B5C55D88 (1)

Weight, g/mol:

461.256609

ΔHf, kcal/mol:

-353.15

Dipole, Da:

3.32

IP(EA), eV:

 -8.72(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-4-[(E)-2-[(2R,4R,5R,6R)-5-methyl-4-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-2-yl]prop-1-enyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC[C@@H]1C(=CC[C@@H](O1)/C(=C/[C@H](C)/C=C/[C@@H]2C[C@H]2/C=C\[C@H]3[C@@H]([C@H](C[C@H](O3)CCO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)/C)C

DOS

IR

Vibrations