Geometry & MOs

Info

ID:	125866
PubChem CID:	50941580
Reduced:	ClFSO2N6H20C23 (1)
Stoich.:	ABCD2E6F20G23 (1)
Weight, g/mol:	246.92604
ΔH_f, kcal/mol:	-8.72
Dipole, Da:	2.89
IP(EA), eV:	-8.74(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-6-chloro-7H-purin-2-amine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC(=NC3=C2SC(=N3)C4=CC=C(C=C4)F)N)C(=O)COC5=CC=C(C=C5)Cl

DOS

IR

Vibrations