Geometry & MOs

Info

ID:	422848
PubChem CID:	135118509
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	294.113506
ΔH_f, kcal/mol:	-12.45
Dipole, Da:	1.47
IP(EA), eV:	-9.21(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloropyridin-2-yl)-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=NC4=CC=CC=C4N3)C5=C1SC=C5

DOS

IR

Vibrations