Geometry & MOs

Info

ID:	127533
PubChem CID:	51005225
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	354.11371
ΔH_f, kcal/mol:	-81.69
Dipole, Da:	2.56
IP(EA), eV:	-9.49(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3R,4R,5S)-3-hydroxy-2-(2-methylprop-2-enyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@]12CC[C@H](N1)[C@@H](C2)C3=CC=CC=C3

DOS

IR

Vibrations