Geometry & MOs

Info

ID:	123460
PubChem CID:	50848847
Reduced:	SO3N4C25H28 (1)
Stoich.:	AB3C4D25E28 (1)
Weight, g/mol:	418.203862
ΔH_f, kcal/mol:	-40.62
Dipole, Da:	2.12
IP(EA), eV:	-8.97(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(1-ethylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC3=C(C=NN3C=C2)C(=O)N4CCOCC4)C(=O)CSC5=CC=CC=C5

DOS

IR

Vibrations