Geometry & MOs

Info

ID:	366742
PubChem CID:	127320271
Reduced:	FSO2N5C12H14 (1)
Stoich.:	ABC2D5E12F14 (1)
Weight, g/mol:	310.121195
ΔH_f, kcal/mol:	-37.27
Dipole, Da:	4.41
IP(EA), eV:	-10.12(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-yl)piperidine

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CN=CC(=C2)F)N3C=NC=N3

DOS

IR

Vibrations