Geometry & MOs

Info

ID:	426577
PubChem CID:	135150328
Reduced:	SF3O4N6H11C14 (1)
Stoich.:	AB3C4D6E11F14 (1)
Weight, g/mol:	363.136511
ΔH_f, kcal/mol:	-144.45
Dipole, Da:	8.48
IP(EA), eV:	-9.27(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,3-dimethyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2H-triazol-4-yl)methanone

Drug info:

PubChemData

Smile

COCCN1C=C(N=N1)C2=CN3C(=C(C=N3)C#N)C(=C2)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations