Geometry & MOs

Info

ID:	54020
PubChem CID:	14719580
Reduced:	BrFNSO2C13H13 (1)
Stoich.:	ABCDE2F13G13 (1)
Weight, g/mol:	442.9137
ΔH_f, kcal/mol:	-109.19
Dipole, Da:	6.85
IP(EA), eV:	-9.31(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-yl)-5-fluorobenzene-1,2-diol;dihydrobromide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations