Geometry & MOs

Info

ID:	345654
PubChem CID:	127269954
Reduced:	SN2O4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	336.125612
ΔH_f, kcal/mol:	-163.02
Dipole, Da:	4.53
IP(EA), eV:	-9.36(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-3-methyl-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CCC1COC(CN1C(=O)C2=CC=CC(=C2)CN3CCS(=O)(=O)CC3)C

DOS

IR

Vibrations