Geometry & MOs

Info

ID:	40591
PubChem CID:	8144387
Reduced:	OSN2C7H9 (2)
Stoich.:	ABC2D7E9 (2)
Weight, g/mol:	409.193632
ΔH_f, kcal/mol:	9.38
Dipole, Da:	5.97
IP(EA), eV:	-8.25(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-diethylphenyl)-2-(morpholin-4-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=NN(C(=S)S2)CN3CCOCC3

DOS

IR

Vibrations