Geometry & MOs

Info

ID:	54021
PubChem CID:	14719585
Reduced:	FSBr2O2N3C12H14 (1)
Stoich.:	ABC2D2E3F12G14 (1)
Weight, g/mol:	263.072848
ΔH_f, kcal/mol:	-147.34
Dipole, Da:	8.36
IP(EA), eV:	-9.19(-0.88)
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)benzene-1,2-diol

Drug info:

PubChemData

Smile

C1C(C2=C(CN1)N=C(S2)N)C3=CC(=C(C=C3F)O)O.Br.Br

DOS

IR

Vibrations