Geometry & MOs

Info

ID:	40752
PubChem CID:	8144644
Reduced:	SN3O3H21C22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	410.177647
ΔH_f, kcal/mol:	-0.34
Dipole, Da:	5.28
IP(EA), eV:	-8.57(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,6-dimethylphenoxy)methyl]-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2)C5CC5

DOS

IR

Vibrations