Geometry & MOs

Info

ID:	128464
PubChem CID:	51045400
Reduced:	ClFON2H8C14 (1)
Stoich.:	ABCD2E8F14 (1)
Weight, g/mol:	619.94364
ΔH_f, kcal/mol:	5.46
Dipole, Da:	2.18
IP(EA), eV:	-9.44(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[9-(1-benzamido-2,2,2-trichloroethyl)purin-6-yl]-2,2,2-trichloroethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(C(=N2)Cl)OC3=CC=C(C=C3)F

DOS

IR

Vibrations