Geometry & MOs

Info

ID:	373905
PubChem CID:	131321176
Reduced:	SN2O3H4C9 (1)
Stoich.:	AB2C3D4E9 (1)
Weight, g/mol:	219.994263
ΔH_f, kcal/mol:	26.86
Dipole, Da:	2.8
IP(EA), eV:	-9.39(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2-nitro-1-benzothiophene-6-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=C(S2)[N+](=O)[O-])O)C#N

DOS

IR

Vibrations