Geometry & MOs

Info

ID:	55931
PubChem CID:	17397515
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	328.135782
ΔH_f, kcal/mol:	-53.86
Dipole, Da:	5.22
IP(EA), eV:	-9.52(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)C(C)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations