Geometry & MOs

Info

ID:	39257
PubChem CID:	8139998
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	329.16876
ΔH_f, kcal/mol:	-71.1
Dipole, Da:	3.59
IP(EA), eV:	-8.91(0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[(2-benzylsulfanylacetyl)amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)CNC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations