Geometry & MOs

Info

ID:	125449
PubChem CID:	50924651
Reduced:	N2O3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	459.137675
ΔH_f, kcal/mol:	-36.88
Dipole, Da:	2.5
IP(EA), eV:	-8.64(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[(2R)-2-acetyloxy-2-cyanoethoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCOCN1C2=CC=CC=C2C3=C1N=C(C=C3)OC4=CC=CC(=C4)OC

DOS

IR

Vibrations