Geometry & MOs

Info

ID:	243182
PubChem CID:	99216625
Reduced:	SO2N6C19H20 (1)
Stoich.:	AB2C6D19E20 (1)
Weight, g/mol:	418.142324
ΔH_f, kcal/mol:	27.91
Dipole, Da:	5.43
IP(EA), eV:	-8.69(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CSCC1=NC2=CC=CC=C2N1CC(=O)NCCN3C(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations