Geometry & MOs

Info

ID:	190621
PubChem CID:	78032054
Reduced:	OSN4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	358.182733
ΔH_f, kcal/mol:	70.5
Dipole, Da:	5.94
IP(EA), eV:	-8.24(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-1-[5-(4-methylphenyl)-5-(triazolidin-4-yl)pentyl]pyridine-2-thione

Drug info:

PubChemData

Smile

COC1=CC=CN(C1=S)C(C2CNNN2)C3=CC=CC=C3

DOS

IR

Vibrations