Geometry & MOs

Info

ID:	123468
PubChem CID:	50849067
Reduced:	OSN3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	494.235162
ΔH_f, kcal/mol:	75.97
Dipole, Da:	7.86
IP(EA), eV:	-8.12(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N(CCC2=CSC=N2)CC3=CN=CC=C3

DOS

IR

Vibrations