Geometry & MOs

Info

ID:	405725
PubChem CID:	135075163
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	486.316536
ΔH_f, kcal/mol:	-16.81
Dipole, Da:	4.79
IP(EA), eV:	-8.76(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylidene-1-[(3S)-1-phenylhex-5-en-3-yl]oxypropyl] acetate

Drug info:

PubChemData

Smile

C=CCCCC/C=C/C=C(\C=C)/N1[C@@H](COC1=O)C2=CC=CC=C2

DOS

IR

Vibrations