Geometry & MOs

Info

ID:	160947
PubChem CID:	57390339
Reduced:	FN2O3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	355.117963
ΔH_f, kcal/mol:	-130.11
Dipole, Da:	3.14
IP(EA), eV:	-8.31(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(COC2=C(C=C(C=C2)F)C(=O)CCC3=CC=CC=C3)O

DOS

IR

Vibrations