Geometry & MOs

Info

ID:	373716
PubChem CID:	131319174
Reduced:	ClON3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	15.11
Dipole, Da:	6.29
IP(EA), eV:	-8.91(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-bromo-3-hydroxy-1-benzothiophen-4-yl)acetate

Drug info:

PubChemData

Smile

CN1C(=O)C(=C(N1)C(C2=CC=CC=C2)N)Cl

DOS

IR

Vibrations