Geometry & MOs

Info

ID:	33967
PubChem CID:	7889057
Reduced:	SN2O3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	346.06551
ΔH_f, kcal/mol:	-67.08
Dipole, Da:	3.84
IP(EA), eV:	-8.68(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations