Geometry & MOs

Info

ID:	219925
PubChem CID:	85165051
Reduced:	ClFN3O8C30H35 (1)
Stoich.:	ABC3D8E30F35 (1)
Weight, g/mol:	617.240497
ΔH_f, kcal/mol:	-383.16
Dipole, Da:	5.04
IP(EA), eV:	-9.64(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-chloro-6-(cycloheptylamino)purin-9-yl]-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)OCC2C(CC(O2)N3CC(C(=O)NC3=O)F)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations