Geometry & MOs

Info

ID:	401729
PubChem CID:	135052295
Reduced:	BrN3O3H14C15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	302.100168
ΔH_f, kcal/mol:	-19.82
Dipole, Da:	3.79
IP(EA), eV:	-8.5(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-oxopropyl)oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)O/N=C(\C1=CC=CC=N1)/C2=C(C=CC(=C2)Br)N

DOS

IR

Vibrations