Geometry & MOs

Info

ID:	123461
PubChem CID:	50848862
Reduced:	SO3N4C21H30 (1)
Stoich.:	AB3C4D21E30 (1)
Weight, g/mol:	468.183127
ΔH_f, kcal/mol:	-90.45
Dipole, Da:	3.42
IP(EA), eV:	-8.96(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(1-benzylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(CC1)C2=CC3=C(C=NN3C=C2)C(=O)N4CCC(CC4)C

DOS

IR

Vibrations