Geometry & MOs

Info

ID:	382159
PubChem CID:	134973129
Reduced:	O5C19H28 (1)
Stoich.:	A5B19C28 (1)
Weight, g/mol:	514.275066
ΔH_f, kcal/mol:	-216.38
Dipole, Da:	1.51
IP(EA), eV:	-9.4(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,5R)-3-(methoxymethoxy)-5-phenylmethoxy-2-triethylsilyloxycyclohexyl]methyl benzoate

Drug info:

PubChemData

Smile

CC1(OCC2C[C@H](C[C@H]([C@@H]2O1)OCOC)OCC3=CC=CC=C3)C

DOS

IR

Vibrations