Geometry & MOs

Info

ID:	371666
PubChem CID:	131270240
Reduced:	BrNOSH6C11 (1)
Stoich.:	ABCDE6F11 (1)
Weight, g/mol:	278.93535
ΔH_f, kcal/mol:	46.23
Dipole, Da:	4.18
IP(EA), eV:	-9.38(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-2-formyl-1-benzothiophene-7-carbonitrile

Drug info:

PubChemData

Smile

C1=CSC2=C(C=C(C(=C21)C=O)CBr)C#N

DOS

IR

Vibrations