Geometry & MOs

Info

ID:	147720
PubChem CID:	53787377
Reduced:	N2O9C14H18 (1)
Stoich.:	A2B9C14D18 (1)
Weight, g/mol:	358.10123
ΔH_f, kcal/mol:	-299.92
Dipole, Da:	8.4
IP(EA), eV:	-10.06(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@]1([C@H]([C@@H]([C@H](O[C@@H]1OC2=CC=C(C=C2)[N+](=O)[O-])CO)O)O)O

DOS

IR

Vibrations