Geometry & MOs

Info

ID:	359480
PubChem CID:	127298754
Reduced:	S2O3N4C17H22 (1)
Stoich.:	A2B3C4D17E22 (1)
Weight, g/mol:	361.157246
ΔH_f, kcal/mol:	-76.55
Dipole, Da:	9.41
IP(EA), eV:	-8.98(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=NS(=O)(=O)C3=CC=CC=C3N2)C(=O)N4CCSCC4

DOS

IR

Vibrations