Geometry & MOs

Info

ID:	136457
PubChem CID:	52045693
Reduced:	ClFN3O4H11C14 (1)
Stoich.:	ABC3D4E11F14 (1)
Weight, g/mol:	339.042212
ΔH_f, kcal/mol:	-127.5
Dipole, Da:	5.78
IP(EA), eV:	-10.34(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-2-oxooxolan-3-yl] 1-[(2-chloro-4-fluorophenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

C1COC(=O)[C@@H]1OC(=O)C2=CN(N=N2)CC3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations