Geometry & MOs

Info

ID:	374377
PubChem CID:	131327664
Reduced:	ClNSH4O4C9 (1)
Stoich.:	ABCD4E4F9 (1)
Weight, g/mol:	256.954956
ΔH_f, kcal/mol:	-45.87
Dipole, Da:	5.19
IP(EA), eV:	-9.98(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-nitro-1-benzothiophene-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])SC(=C2C(=O)O)Cl

DOS

IR

Vibrations