Geometry & MOs

Info

ID:	257008
PubChem CID:	103143031
Reduced:	INO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	406.96883
ΔH_f, kcal/mol:	-87.26
Dipole, Da:	5.38
IP(EA), eV:	-9.07(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-iodo-2-[(5-methyloxolan-2-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C3=C(C=C(C=C3)I)OC2=O

DOS

IR

Vibrations