Geometry & MOs

Info

ID:	392736
PubChem CID:	135017812
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	447.174061
ΔH_f, kcal/mol:	-149.23
Dipole, Da:	4.98
IP(EA), eV:	-8.62(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCCC[C@@H]1CCC[C@H]1OC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations