Geometry & MOs

Info

ID:	360741
PubChem CID:	127301386
Reduced:	SN3O3C10H17 (1)
Stoich.:	AB3C3D10E17 (1)
Weight, g/mol:	292.088164
ΔH_f, kcal/mol:	-69.93
Dipole, Da:	4.62
IP(EA), eV:	-8.85(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylmethyl)-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCN(CC2)C

DOS

IR

Vibrations