Geometry & MOs

Info

ID:	30856
PubChem CID:	842012
Reduced:	ClO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	281.101171
ΔH_f, kcal/mol:	-35.72
Dipole, Da:	7.66
IP(EA), eV:	-9.16(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5R,6S)-2-(benzotriazol-1-yl)-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNC(=O)C2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations