Geometry & MOs

Info

ID:	372907
PubChem CID:	131306888
Reduced:	BrSN2O2H5C10 (1)
Stoich.:	ABC2D2E5F10 (1)
Weight, g/mol:	295.92551
ΔH_f, kcal/mol:	66.07
Dipole, Da:	2.8
IP(EA), eV:	-9.53(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-2-nitro-1-benzothiophen-5-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)SC(=C2CC#N)[N+](=O)[O-]

DOS

IR

Vibrations