Geometry & MOs

Info

ID:	40742
PubChem CID:	8144626
Reduced:	ClSO2N4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	320.130697
ΔH_f, kcal/mol:	17.65
Dipole, Da:	6.15
IP(EA), eV:	-8.35(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-4-methyl-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NN(C(=S)N2C3=CC=C(C=C3)Cl)CN4CCOCC4

DOS

IR

Vibrations