Geometry & MOs

Info

ID:	374812
PubChem CID:	131347833
Reduced:	BrClN2O3H8C9 (1)
Stoich.:	ABC2D3E8F9 (1)
Weight, g/mol:	297.92993
ΔH_f, kcal/mol:	-14.66
Dipole, Da:	4.67
IP(EA), eV:	-9.63(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-bromo-5-formyl-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1CN[C@@H]1C2=CC(=C(C(=C2O)[N+](=O)[O-])Br)Cl

DOS

IR

Vibrations