Geometry & MOs

Info

ID:	403933
PubChem CID:	135062671
Reduced:	Si2O3C29H48 (1)
Stoich.:	A2B3C29D48 (1)
Weight, g/mol:	380.163517
ΔH_f, kcal/mol:	-167.59
Dipole, Da:	3.54
IP(EA), eV:	-8.38(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6R,8R,9S)-8-[[(E)-2-(4-fluorophenyl)ethenoxy]methyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C(=C/C([Si](CC)(CC)CC)[Si](CC)(CC)CC)/OCC(=C)C1=CC=CC=C1

DOS

IR

Vibrations