Geometry & MOs

Info

ID:	335649
PubChem CID:	127254511
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	-57.5
Dipole, Da:	4.53
IP(EA), eV:	-8.74(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylpyrrol-1-yl)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1C(=C2CSCC2=N1)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4OC

DOS

IR

Vibrations