Geometry & MOs

Info

ID:	373530
PubChem CID:	131316539
Reduced:	BrOSN3H6C8 (1)
Stoich.:	ABCD3E6F8 (1)
Weight, g/mol:	200.000411
ΔH_f, kcal/mol:	48.82
Dipole, Da:	4.06
IP(EA), eV:	-9.2(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-imino-4H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)OC2=NSC(=N2)N

DOS

IR

Vibrations