Geometry & MOs

Info

ID:	27688
PubChem CID:	823081
Reduced:	NO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	294.095082
ΔH_f, kcal/mol:	-135.77
Dipole, Da:	4.79
IP(EA), eV:	-9.35(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2S,3R)-3-hydroxy-4,4-dimethoxy-5-oxooxolan-2-yl]-2,2-dimethoxyacetate

Drug info:

PubChemData

Smile

COC1([C@H]([C@@H](C1(OC)OC)C2=CC=CO2)C#N)OC

DOS

IR

Vibrations