Geometry & MOs

Info

ID:	373063
PubChem CID:	131309291
Reduced:	BrN2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	298.92518
ΔH_f, kcal/mol:	-30.45
Dipole, Da:	5.75
IP(EA), eV:	-10.22(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-3-nitro-1-benzothiophene-7-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C[C@H](C(=O)O)N)C#N)Br

DOS

IR

Vibrations