Geometry & MOs

Info

ID:	160293
PubChem CID:	57309640
Reduced:	O3C10H17 (2)
Stoich.:	A3B10C17 (2)
Weight, g/mol:	369.11069
ΔH_f, kcal/mol:	-295.05
Dipole, Da:	4.71
IP(EA), eV:	-10.09(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2CC(C[C@H]2[C@@H]([C@H]1O)C=CC(CCCCCO)O)CCOCC(=O)O

DOS

IR

Vibrations