Geometry & MOs

Info

ID:	131698
PubChem CID:	51247334
Reduced:	FNSO2H16C17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	344.104003
ΔH_f, kcal/mol:	-84.01
Dipole, Da:	2.67
IP(EA), eV:	-8.65(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSC2=C(C1NC(=O)COC3=CC=CC=C3)C=C(C=C2)F

DOS

IR

Vibrations