Geometry & MOs

Info

ID:	136456
PubChem CID:	52045692
Reduced:	BrClFO2N3H12C17 (1)
Stoich.:	ABCD2E3F12G17 (1)
Weight, g/mol:	339.042212
ΔH_f, kcal/mol:	-25.55
Dipole, Da:	5.03
IP(EA), eV:	-9.48(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC(=O)C2=CN(N=N2)CC3=C(C=C(C=C3)F)Cl)Br

DOS

IR

Vibrations