Geometry & MOs

Info

ID:	80367
PubChem CID:	49834181
Reduced:	ClSN4O4C22H23 (1)
Stoich.:	ABC4D4E22F23 (1)
Weight, g/mol:	335.141596
ΔH_f, kcal/mol:	-72.13
Dipole, Da:	9.03
IP(EA), eV:	-8.2(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,5S)-2-[6-(cyclopentylamino)purin-9-yl]-5-methylthiolane-3,4-diol

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)NC(C4)C(=O)COC

DOS

IR

Vibrations