Geometry & MOs

Info

ID:	48610
PubChem CID:	11109935
Reduced:	O6C17H18 (1)
Stoich.:	A6B17C18 (1)
Weight, g/mol:	318.077324
ΔH_f, kcal/mol:	-197.65
Dipole, Da:	4.43
IP(EA), eV:	-8.82(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4S,5R)-4,5-dihydroxy-2-methoxyoxan-3-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCC(C1=CC(=C2C(=O)C=CC(=O)C2=C1OC)OC)OC(=O)C

DOS

IR

Vibrations