Geometry & MOs

Info

ID:	56328
PubChem CID:	17425110
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	331.056152
ΔH_f, kcal/mol:	-28.27
Dipole, Da:	2.39
IP(EA), eV:	-9.11(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methylpyridin-2-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2=CN=C(C=C2)OC

DOS

IR

Vibrations