Geometry & MOs

Info

ID:	40221
PubChem CID:	8143770
Reduced:	SO2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	293.123621
ΔH_f, kcal/mol:	22.46
Dipole, Da:	4.9
IP(EA), eV:	-8.35(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(4-fluorophenyl)-4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC2=NN(C(=S)N2C3=CC=CC=C3)CN4CCCC4

DOS

IR

Vibrations