Geometry & MOs

Info

ID:	136817
PubChem CID:	52105958
Reduced:	SN2O4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	399.020631
ΔH_f, kcal/mol:	-87.81
Dipole, Da:	5.32
IP(EA), eV:	-9.8(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(4-chlorophenyl)-(2-methyl-1,3-dioxobenzo[de]isoquinolin-5-yl)sulfonylazanide

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)S(=O)(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations