Geometry & MOs

Info

ID:	374127
PubChem CID:	131324021
Reduced:	SO2N3C9H15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	231.994263
ΔH_f, kcal/mol:	-48.58
Dipole, Da:	4.03
IP(EA), eV:	-9.47(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-formyl-7-nitro-1-benzothiophene-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCS(=O)(=O)C2=CC(=NN2C1)CCN

DOS

IR

Vibrations