Geometry & MOs

Info

ID:	394659
PubChem CID:	135023444
Reduced:	ON4H12C18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	260.180771
ΔH_f, kcal/mol:	136.92
Dipole, Da:	4.53
IP(EA), eV:	-9.77(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoic acid

Drug info:

PubChemData

Smile

C1COC2=C[C@@H](C(C([C@@H]21)(C#N)C#N)(C#N)C#N)C3=CC=CC=C3

DOS

IR

Vibrations