Geometry & MOs

Info

ID:	405386
PubChem CID:	135073721
Reduced:	NO13C18H25 (1)
Stoich.:	AB13C18D25 (1)
Weight, g/mol:	290.122634
ΔH_f, kcal/mol:	-462.0
Dipole, Da:	8.81
IP(EA), eV:	-9.9(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,5S)-2-(2-azidoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2C(C([C@@H](C(O2)CO)O[C@H]3C(C([C@H](C(O3)CO)O)O)O)O)O

DOS

IR

Vibrations