Geometry & MOs

Info

ID:	373348
PubChem CID:	131313660
Reduced:	BrClOSH10C11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-12.61
Dipole, Da:	0.63
IP(EA), eV:	-8.87(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C=CSC2=C1Br)CCl

DOS

IR

Vibrations