Geometry & MOs

Info

ID:	374155
PubChem CID:	131324602
Reduced:	BrClNSO2H5C9 (1)
Stoich.:	ABCDE2F5G9 (1)
Weight, g/mol:	284.90953
ΔH_f, kcal/mol:	27.2
Dipole, Da:	4.85
IP(EA), eV:	-9.41(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-7-nitro-1-benzothiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC(=C2CBr)Cl)[N+](=O)[O-]

DOS

IR

Vibrations