Geometry & MOs

Info

ID:	374773
PubChem CID:	131342670
Reduced:	BrON2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	240.025643
ΔH_f, kcal/mol:	-38.96
Dipole, Da:	2.41
IP(EA), eV:	-8.71(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-fluoro-4-hydroxy-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C2=C(CC[C@H]2N)C=C1)Br

DOS

IR

Vibrations