Geometry & MOs

Info

ID:	308489
PubChem CID:	125333239
Reduced:	SN4O5C11H14 (1)
Stoich.:	AB4C5D11E14 (1)
Weight, g/mol:	314.068491
ΔH_f, kcal/mol:	-114.92
Dipole, Da:	5.53
IP(EA), eV:	-9.51(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R)-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-methylsulfanyl-8H-purin-6-one

Drug info:

PubChemData

Smile

CS[C@@H]1N=C2C(=NC=NC2=O)N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O

DOS

IR

Vibrations