Geometry & MOs

Info

ID:	312930
PubChem CID:	126610114
Reduced:	NSO3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	326.083747
ΔH_f, kcal/mol:	-89.87
Dipole, Da:	4.33
IP(EA), eV:	-8.34(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(6-phenoxypyridin-3-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(O1)C2=CC=C(C=C2)NS(=O)(=O)C

DOS

IR

Vibrations