Geometry & MOs

Info

ID:	374212
PubChem CID:	131325516
Reduced:	INSH4O4C9 (1)
Stoich.:	ABCD4E4F9 (1)
Weight, g/mol:	348.89058
ΔH_f, kcal/mol:	-22.83
Dipole, Da:	0.56
IP(EA), eV:	-9.8(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-6-nitro-1-benzothiophene-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])SC(=C2I)C(=O)O

DOS

IR

Vibrations