Geometry & MOs

Info

ID:	382263
PubChem CID:	134973317
Reduced:	N2O6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	474.127445
ΔH_f, kcal/mol:	-227.66
Dipole, Da:	5.98
IP(EA), eV:	-9.49(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(OC2[C@H](O[C@H](C2O1)N3C=CC(=O)N(C3=O)CC4=CC=CC=C4)CO)C

DOS

IR

Vibrations