Geometry & MOs

Info

ID:	379946
PubChem CID:	134964388
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	395.91395
ΔH_f, kcal/mol:	2.87
Dipole, Da:	3.55
IP(EA), eV:	-8.97(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-2-methoxy-[1]benzothiolo[2,3-b][1]benzothiole

Drug info:

PubChemData

Smile

CC(C)C1=NC=CC2=C1C=C3N2CCC3=O

DOS

IR

Vibrations