Geometry & MOs

Info

ID:	397787
PubChem CID:	135030730
Reduced:	SO5N6C15H22 (1)
Stoich.:	AB5C6D15E22 (1)
Weight, g/mol:	399.145064
ΔH_f, kcal/mol:	-149.97
Dipole, Da:	7.51
IP(EA), eV:	-9.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3R)-3-amino-3-carboxypropyl]-[[(2S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium

Drug info:

PubChemData

Smile

C[S+](CC[C@H](C(=O)[O-])N)C[C@@H]1C(C([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O

DOS

IR

Vibrations