Geometry & MOs

Info

ID:	28499
PubChem CID:	827980
Reduced:	N3O3H17C19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	260.91092
ΔH_f, kcal/mol:	-66.01
Dipole, Da:	1.75
IP(EA), eV:	-8.4(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-1,3-benzothiazole

Drug info:

PubChemData

Smile

C=CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=C(C=C3)N

DOS

IR

Vibrations