Geometry & MOs

Info

ID:	40762
PubChem CID:	8144662
Reduced:	FSO2N4C18H23 (1)
Stoich.:	ABC2D4E18F23 (1)
Weight, g/mol:	379.1604
ΔH_f, kcal/mol:	-60.81
Dipole, Da:	2.45
IP(EA), eV:	-8.37(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(4-fluorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2C(=NN(C2=S)CN3CCOCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations