Geometry & MOs

Info

ID:	385121
PubChem CID:	134978362
Reduced:	O3C16H24 (1)
Stoich.:	A3B16C24 (1)
Weight, g/mol:	502.329849
ΔH_f, kcal/mol:	-120.27
Dipole, Da:	2.83
IP(EA), eV:	-8.82(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-2-methylcyclohex-3-en-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)([C@@H](C/C=C/C1=CC=CC=C1)O)C(OC)OC

DOS

IR

Vibrations