Geometry & MOs

Info

ID:	374323
PubChem CID:	131326748
Reduced:	ClFO3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	350.83873
ΔH_f, kcal/mol:	-173.81
Dipole, Da:	0.82
IP(EA), eV:	-9.45(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-3-(bromomethyl)-6-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

CC(C1=C(C(=C(C=C1)O)Cl)F)C(=O)OC

DOS

IR

Vibrations