Geometry & MOs

Info

ID:	398366
PubChem CID:	135032981
Reduced:	O3C14H16 (2)
Stoich.:	A3B14C16 (2)
Weight, g/mol:	274.92657
ΔH_f, kcal/mol:	-176.59
Dipole, Da:	2.9
IP(EA), eV:	-9.3(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-2-methylidene-1,3-benzothiazole

Drug info:

PubChemData

Smile

CO[C@@H]1C([C@H]([C@H](C(O1)COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations