Geometry & MOs

Info

ID:

403556

PubChem CID:

135060775

Reduced:

NSi6C18H46 (2)

Stoich.:

AB6C18D46 (2)

Weight, g/mol:

354.108979

ΔHf, kcal/mol:

-306.15

Dipole, Da:

2.62

IP(EA), eV:

 -6.84(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S)-2-fluoro-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-1-phenylethanol

Drug info:

PubChemData

Smile

CC(C)[Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)[Si@@H](C#N)[Si@@H]([N+]#[C-])[Si](C(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C

DOS

IR

Vibrations