Geometry & MOs

Info

ID:	336918
PubChem CID:	127255925
Reduced:	NO6C29H33 (1)
Stoich.:	AB6C29D33 (1)
Weight, g/mol:	411.116546
ΔH_f, kcal/mol:	-196.1
Dipole, Da:	3.93
IP(EA), eV:	-9.24(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4R,5S,6R)-4,5-diacetyloxy-2-methyl-6-(4-nitrophenoxy)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)O

DOS

IR

Vibrations