Geometry & MOs

Info

ID:	203562
PubChem CID:	79846103
Reduced:	N3O3C11H13 (1)
Stoich.:	A3B3C11D13 (1)
Weight, g/mol:	332.086449
ΔH_f, kcal/mol:	-82.14
Dipole, Da:	5.68
IP(EA), eV:	-10.41(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(2-methylsulfonylethyl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide

Drug info:

PubChemData

Smile

C1CC(C1)(CC(=O)O)NC(=O)C2=NC=CN=C2

DOS

IR

Vibrations