Geometry & MOs

Info

ID:	68096
PubChem CID:	46507746
Reduced:	O3N4H16C17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	284.073182
ΔH_f, kcal/mol:	-53.22
Dipole, Da:	7.23
IP(EA), eV:	-8.61(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)NN3C(=O)CCC3=O

DOS

IR

Vibrations