Geometry & MOs

Info

ID:	193827
PubChem CID:	78443175
Reduced:	ClSN2O2C16H18 (2)
Stoich.:	ABC2D2E16F18 (2)
Weight, g/mol:	343.157716
ΔH_f, kcal/mol:	-57.31
Dipole, Da:	6.49
IP(EA), eV:	-9.07(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-(2,3,3-trimethyl-2,4-dihydro-1H-isoquinolin-2-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

C1C[NH+](CC[NH+]1C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(CNS(=O)(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

DOS

IR

Vibrations