Geometry & MOs

Info

ID:	17113
PubChem CID:	484512
Reduced:	SO2N6H14C15 (1)
Stoich.:	AB2C6D14E15 (1)
Weight, g/mol:	342.089895
ΔH_f, kcal/mol:	65.77
Dipole, Da:	7.31
IP(EA), eV:	-8.93(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenoxy)-N-(3-pyrazin-2-yl-5-sulfanyl-1,2,4-triazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)NN2C(=NN=C2S)C3=NC=CN=C3

DOS

IR

Vibrations