Geometry & MOs

Info

ID:	375074
PubChem CID:	131465655
Reduced:	ClFSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	225.009579
ΔH_f, kcal/mol:	-78.4
Dipole, Da:	5.07
IP(EA), eV:	-9.14(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-5-nitro-1-benzothiophen-3-ol

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1C=CC(=O)O)Cl)SC=C2F

DOS

IR

Vibrations