Geometry & MOs

Info

ID:	147719
PubChem CID:	53787376
Reduced:	NOH11C14 (1)
Stoich.:	ABC11D14 (1)
Weight, g/mol:	358.10123
ΔH_f, kcal/mol:	16.94
Dipole, Da:	1.18
IP(EA), eV:	-8.93(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C(C=CN=C32)CO

DOS

IR

Vibrations