Geometry & MOs

Info

ID:	40709
PubChem CID:	8144563
Reduced:	SO3N4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	400.11246
ΔH_f, kcal/mol:	-39.9
Dipole, Da:	3.93
IP(EA), eV:	-8.37(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-5-(4-chlorophenyl)-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CN1C(=NN(C1=S)CN2CCOCC2)COC3=CC=C(C=C3)OC

DOS

IR

Vibrations