Geometry & MOs

Info

ID:	252148
PubChem CID:	103109429
Reduced:	ClSO2N3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	374.97855
ΔH_f, kcal/mol:	-18.31
Dipole, Da:	1.79
IP(EA), eV:	-8.84(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(5-bromo-2-fluorophenyl)methyl]-5-(chloromethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCSC2=CC=CC=C2)CCl

DOS

IR

Vibrations