Geometry & MOs

Info

ID:	54019
PubChem CID:	14719579
Reduced:	FNSO2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	344.98344
ΔH_f, kcal/mol:	-83.09
Dipole, Da:	3.44
IP(EA), eV:	-8.91(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)benzene-1,2-diol;hydrobromide

Drug info:

PubChemData

Smile

C1C(C2=C(CN1)C=CS2)C3=CC(=C(C=C3F)O)O

DOS

IR

Vibrations