Geometry & MOs

Info

ID:	372817
PubChem CID:	131305253
Reduced:	BrNOSH8C11 (1)
Stoich.:	ABCDE8F11 (1)
Weight, g/mol:	237.009579
ΔH_f, kcal/mol:	30.07
Dipole, Da:	4.11
IP(EA), eV:	-8.9(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1C#N)SC=C2Br

DOS

IR

Vibrations