Geometry & MOs

Info

ID:

386010

PubChem CID:

134980526

Reduced:

NSiWO7C27H35 (1)

Stoich.:

ABCD7E27F35 (1)

Weight, g/mol:

585.189554

ΔHf, kcal/mol:

-111.85

Dipole, Da:

5.11

IP(EA), eV:

 -6.81(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[benzoyl(methyl)amino]-[(1R,2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-methylcyclohex-3-en-1-yl]methylidene]tungsten

Drug info:

PubChemData

Smile

C[C@H]1CC(=C[C@H]([C@@H]1C(=[W])N(C)C(=O)C2=CC=CC=C2)OC)O[Si](C)(C)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations