Geometry & MOs

Info

ID:	79635
PubChem CID:	49829798
Reduced:	OSN6C21H23 (1)
Stoich.:	ABC6D21E23 (1)
Weight, g/mol:	408.14788
ΔH_f, kcal/mol:	99.05
Dipole, Da:	13.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.918038
Charge, e:	1

Chem-info

IUPAC name:

1-(2-chlorophenyl)ethyl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium

Drug info:

PubChemData

Smile

C1CC(C[NH+](C1)CC2=CC3=NSN=C3C=C2)CNC(=O)C4=NNC5=CC=CC=C54

DOS

IR

Vibrations