Geometry & MOs

Info

ID:	368130
PubChem CID:	127327667
Reduced:	SN2O4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	392.176979
ΔH_f, kcal/mol:	-151.37
Dipole, Da:	7.01
IP(EA), eV:	-8.58(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-cyclohexyloxypiperidin-1-yl)sulfonyl-3,4-dihydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

C1CC(OC1)CS(=O)(=O)N(CCN2CCOCC2)C3=CC=CC=C3

DOS

IR

Vibrations