Geometry & MOs

Info

ID:	144084
PubChem CID:	53308549
Reduced:	NOC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	445.077574
ΔH_f, kcal/mol:	28.27
Dipole, Da:	0.53
IP(EA), eV:	-9.3(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCONC(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations