Geometry & MOs

Info

ID:	340793
PubChem CID:	127263228
Reduced:	BrINCl2H3C5 (1)
Stoich.:	ABCD2E3F5 (1)
Weight, g/mol:	479.173959
ΔH_f, kcal/mol:	5.94
Dipole, Da:	2.21
IP(EA), eV:	-10.17(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]oxy-6-benzyl-5-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1=C(C(=CN=C1Br)I)Cl.Cl

DOS

IR

Vibrations