Geometry & MOs

Info

ID:	129803
PubChem CID:	51073896
Reduced:	ClSN2O3C15H15 (1)
Stoich.:	ABC2D3E15F15 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	-85.47
Dipole, Da:	2.76
IP(EA), eV:	-9.96(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylanilino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C1=CN=CC=C1)NC(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations