Geometry & MOs

Info

ID:	427216
PubChem CID:	135156220
Reduced:	FNOSC14H14 (1)
Stoich.:	ABCDE14F14 (1)
Weight, g/mol:	623.131793
ΔH_f, kcal/mol:	-37.56
Dipole, Da:	1.48
IP(EA), eV:	-8.47(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[8-(2-chlorophenyl)-6-[4-[(3,4-difluorophenyl)sulfonylamino]piperidin-1-yl]purin-9-yl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=N1)F)SCC2=CC=CC=C2

DOS

IR

Vibrations