Geometry & MOs

Info

ID:	372906
PubChem CID:	131306851
Reduced:	ISO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	295.92551
ΔH_f, kcal/mol:	-57.06
Dipole, Da:	6.97
IP(EA), eV:	-9.03(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-2-nitro-1-benzothiophen-3-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C(=CS2)I)C(=C1/C=C/C(=O)O)O

DOS

IR

Vibrations