Geometry & MOs

Info

ID:	190882
PubChem CID:	78071930
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	516.090201
ΔH_f, kcal/mol:	-37.6
Dipole, Da:	6.22
IP(EA), eV:	-9.14(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-3-yl)purin-6-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2CCCN4C=CN=C4

DOS

IR

Vibrations