Geometry & MOs

Info

ID:	312816
PubChem CID:	126608880
Reduced:	O2C9H11 (4)
Stoich.:	A2B9C11 (4)
Weight, g/mol:	404.165745
ΔH_f, kcal/mol:	-279.66
Dipole, Da:	3.62
IP(EA), eV:	-9.27(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4R,5S)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](OC([C@H]1C)COCC2=CC=CC=C2)OC3[C@H](O[C@@H]4CO[C@H](OC4C3OCC5=CC=CC=C5)C6=CC=CC=C6)OC

DOS

IR

Vibrations