Geometry & MOs

Info

ID:	39112
PubChem CID:	8139712
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	399.129787
ΔH_f, kcal/mol:	-46.75
Dipole, Da:	8.84
IP(EA), eV:	-8.85(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3

DOS

IR

Vibrations