Geometry & MOs

Info

ID:	372358
PubChem CID:	131296567
Reduced:	BrNO2F3H7C9 (1)
Stoich.:	ABC2D3E7F9 (1)
Weight, g/mol:	238.02998
ΔH_f, kcal/mol:	-222.77
Dipole, Da:	5.12
IP(EA), eV:	-9.28(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-3-methoxy-1-benzothiophene-7-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1N)Br)C(F)(F)F

DOS

IR

Vibrations