Geometry & MOs

Info

ID:	159392
PubChem CID:	57269799
Reduced:	NSO3C18H25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	496.1408
ΔH_f, kcal/mol:	-115.92
Dipole, Da:	5.34
IP(EA), eV:	-9.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-2-[2-chloro-6-[[4-(1-methylimidazol-2-yl)sulfanylpiperidin-1-yl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC=CCCCC(=O)N(C1CCCC1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations