Geometry & MOs

Info

ID:	30858
PubChem CID:	842014
Reduced:	ClON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	251.090606
ΔH_f, kcal/mol:	10.25
Dipole, Da:	5.27
IP(EA), eV:	-8.77(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5S)-2-(benzotriazol-1-yl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C(=O)NC2=CC=CC=C2Cl

DOS

IR

Vibrations