Geometry & MOs

Info

ID:	372785
PubChem CID:	131304733
Reduced:	NSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	237.009579
ΔH_f, kcal/mol:	-26.86
Dipole, Da:	8.79
IP(EA), eV:	-9.25(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-7-nitro-1-benzothiophene-4-carbaldehyde

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)C=O)C(=CS2)[N+](=O)[O-]

DOS

IR

Vibrations