Geometry & MOs

Info

ID:	41283
PubChem CID:	8145600
Reduced:	NSO2H19C20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	401.148573
ΔH_f, kcal/mol:	-1.04
Dipole, Da:	5.43
IP(EA), eV:	-8.97(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-fluorophenyl)-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CCN(C1=CC=CC2=CC=CC=C21)S(=O)(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations