Geometry & MOs

Info

ID:	303657
PubChem CID:	124490013
Reduced:	NO4C10H11 (2)
Stoich.:	AB4C10D11 (2)
Weight, g/mol:	418.137616
ΔH_f, kcal/mol:	-304.64
Dipole, Da:	5.45
IP(EA), eV:	-9.85(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4R)-2,3,4-triacetyloxy-4-quinoxalin-2-ylbutyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]([C@@H]([C@@H](C1=NC2=CC=CC=C2N=C1)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations