Geometry & MOs

Info

ID:	161605
PubChem CID:	57392118
Reduced:	NO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	335.148121
ΔH_f, kcal/mol:	-40.0
Dipole, Da:	2.29
IP(EA), eV:	-8.96(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[[4-(4-methylphenyl)triazol-1-yl]methyl]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1CC(C1)OC(=O)NC2=CC=CC(=C2)C3=CC=CC=C3

DOS

IR

Vibrations