Geometry & MOs

Info

ID:	52869
PubChem CID:	14709109
Reduced:	SN2O2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	465.95812
ΔH_f, kcal/mol:	0.0
Dipole, Da:	9.65
IP(EA), eV:	-10.07(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-(4-iodoanilino)-1,4-dioxonaphthalen-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=N1)S(=O)(=O)C)C#N)C2=CC=CC=C2

DOS

IR

Vibrations