Geometry & MOs

Info

ID:	65057
PubChem CID:	29204409
Reduced:	ISN3O4H11C15 (1)
Stoich.:	ABC3D4E11F15 (1)
Weight, g/mol:	456.95932
ΔH_f, kcal/mol:	0.24
Dipole, Da:	5.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.924554
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NOCC(=O)NC3=CC=C(C=C3)I)[N-]S2(=O)=O

DOS

IR

Vibrations