Geometry & MOs

Info

ID:	374128
PubChem CID:	131324027
Reduced:	SN2O3H4C10 (1)
Stoich.:	AB2C3D4E10 (1)
Weight, g/mol:	231.994263
ΔH_f, kcal/mol:	45.79
Dipole, Da:	1.49
IP(EA), eV:	-9.75(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-formyl-4-nitro-1-benzothiophene-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1C=O)C(=CS2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations