Geometry & MOs

Info

ID:	372926
PubChem CID:	131307160
Reduced:	NSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	237.009579
ΔH_f, kcal/mol:	-35.56
Dipole, Da:	6.0
IP(EA), eV:	-9.54(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=C(S2)C=O)C(=C1CO)[N+](=O)[O-]

DOS

IR

Vibrations