Geometry & MOs

Info

ID:	167434
PubChem CID:	74828412
Reduced:	Cl2O3N5C18H23 (1)
Stoich.:	A2B3C5D18E23 (1)
Weight, g/mol:	533.166367
ΔH_f, kcal/mol:	-94.73
Dipole, Da:	0.94
IP(EA), eV:	-8.98(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-cyclopentyl-9-[6-[(2-fluorophenyl)sulfanylmethyl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine

Drug info:

PubChemData

Smile

CC1(C(C(OC1N2C=NC3=C(N=C(N=C32)Cl)NC4CC5CCC4C5)CCl)O)O

DOS

IR

Vibrations