Geometry & MOs

Info

ID:	40569
PubChem CID:	8144348
Reduced:	OSN4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	371.134186
ΔH_f, kcal/mol:	47.96
Dipole, Da:	4.48
IP(EA), eV:	-8.25(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(4-fluorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-phenyl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=NN(C2=S)CN3CCOCC3)C4=CC=CC=C4)C

DOS

IR

Vibrations