Geometry & MOs

Info

ID:	217630
PubChem CID:	85088128
Reduced:	ClO4H19C22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	382.066653
ΔH_f, kcal/mol:	-111.47
Dipole, Da:	2.07
IP(EA), eV:	-8.75(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-9-[[1-fluoro-3-(4-methylphenyl)sulfinylpropan-2-yl]oxymethyl]purine

Drug info:

PubChemData

Smile

CC1=C(C2=C(C1=CC3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC(=O)C

DOS

IR

Vibrations