Geometry & MOs

Info

ID:	375235
PubChem CID:	131481006
Reduced:	BrSN2O3H7C9 (1)
Stoich.:	ABC2D3E7F9 (1)
Weight, g/mol:	301.92484
ΔH_f, kcal/mol:	-36.4
Dipole, Da:	2.73
IP(EA), eV:	-8.99(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-bromo-1,1-dioxo-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=NN1C2=CC=C(S2)Br)O

DOS

IR

Vibrations