Geometry & MOs

Info

ID:	139483
PubChem CID:	52540000
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	424.146166
ΔH_f, kcal/mol:	-5.92
Dipole, Da:	3.8
IP(EA), eV:	-8.49(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]propyl]-methylazanium

Drug info:

PubChemData

Smile

CCONC=C1C(=O)C=CC2=CC=CC=C21

DOS

IR

Vibrations