Geometry & MOs

Info

ID:	308488
PubChem CID:	125333237
Reduced:	O3N4C25H26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	314.068491
ΔH_f, kcal/mol:	-49.25
Dipole, Da:	8.97
IP(EA), eV:	-9.3(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=CC(=CC=C1)N2C(=O)[C@]3([C@H]4C(=C5C=CC=CC5=N4)CCN3C2=O)C

DOS

IR

Vibrations