Geometry & MOs

Info

ID:	165017
PubChem CID:	74485713
Reduced:	SO3N4C26H33 (1)
Stoich.:	AB3C4D26E33 (1)
Weight, g/mol:	323.212338
ΔH_f, kcal/mol:	-32.69
Dipole, Da:	8.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.083538
Charge, e:	1

Chem-info

IUPAC name:

(4-acetamidophenyl)methyl-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)NCC(C3=CC=CC=C3OC)[NH+]4CCCC4

DOS

IR

Vibrations