Geometry & MOs

Info

ID:	373120
PubChem CID:	131310216
Reduced:	BrNF2O3H6C9 (1)
Stoich.:	ABC2D3E6F9 (1)
Weight, g/mol:	298.92518
ΔH_f, kcal/mol:	-185.03
Dipole, Da:	5.25
IP(EA), eV:	-9.99(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-7-nitro-1-benzothiophene-4-carbaldehyde

Drug info:

PubChemData

Smile

C1[C@H](NC(=O)O1)C2=CC(=C(C(=C2O)F)F)Br

DOS

IR

Vibrations