Geometry & MOs

Info

ID:	382371
PubChem CID:	134973487
Reduced:	O6C19H20 (1)
Stoich.:	A6B19C20 (1)
Weight, g/mol:	486.280151
ΔH_f, kcal/mol:	-186.91
Dipole, Da:	5.46
IP(EA), eV:	-9.34(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,5R)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-1-formyl-5-methyl-4-(phenylmethoxymethyl)cyclohex-3-en-1-yl] acetate

Drug info:

PubChemData

Smile

COC1=C(C(=O)O[C@]12CC=CC[C@H]2C(=O)OC)OCC3=CC=CC=C3

DOS

IR

Vibrations