Geometry & MOs

Info

ID:	65056
PubChem CID:	29204408
Reduced:	ISN3O3H14C15 (1)
Stoich.:	ABC3D3E14F15 (1)
Weight, g/mol:	455.9515
ΔH_f, kcal/mol:	-76.4
Dipole, Da:	4.1
IP(EA), eV:	-9.05(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,2-benzothiazol-2-id-3-ylidene)amino]oxy-N-(4-iodophenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)CCC(=O)NC2=C(C=CS2)C(=O)N)I

DOS

IR

Vibrations