Geometry & MOs

Info

ID:	156759
PubChem CID:	56374263
Reduced:	SF2O3N4C18H20 (1)
Stoich.:	AB2C3D4E18F20 (1)
Weight, g/mol:	388.00049
ΔH_f, kcal/mol:	-146.55
Dipole, Da:	2.86
IP(EA), eV:	-9.3(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-fluorophenyl)sulfonyl-4-(1,2,4-triazol-1-yl)piperidine

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=NC=N2)S(=O)(=O)C3=CC4=C(CC3)C=C(C=C4)OC(F)F

DOS

IR

Vibrations