Geometry & MOs

Info

ID:	55542
PubChem CID:	17395520
Reduced:	N2O2S2H14C19 (1)
Stoich.:	A2B2C2D14E19 (1)
Weight, g/mol:	344.127326
ΔH_f, kcal/mol:	39.65
Dipole, Da:	3.54
IP(EA), eV:	-8.95(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=CS2)/C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations