Geometry & MOs

Info

ID:	372859
PubChem CID:	131306090
Reduced:	OSN3H5C6 (1)
Stoich.:	ABC3D5E6 (1)
Weight, g/mol:	237.009579
ΔH_f, kcal/mol:	64.65
Dipole, Da:	3.3
IP(EA), eV:	-8.63(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-7-nitro-1-benzothiophene-3-carbaldehyde

Drug info:

PubChemData

Smile

C1=C(N=CS1)C2=C(C=NO2)N

DOS

IR

Vibrations