Geometry & MOs

Info

ID:	268907
PubChem CID:	103602126
Reduced:	INO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	399.97425
ΔH_f, kcal/mol:	-50.99
Dipole, Da:	4.33
IP(EA), eV:	-9.1(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-iodo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CCN(CC(=C)C)C(=O)C1=C(C=CC(=C1)I)O

DOS

IR

Vibrations