Geometry & MOs

Info

ID:	307183
PubChem CID:	125275637
Reduced:	Si2O3C21H38 (1)
Stoich.:	A2B3C21D38 (1)
Weight, g/mol:	299.086583
ΔH_f, kcal/mol:	-165.0
Dipole, Da:	2.49
IP(EA), eV:	-8.91(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@](C#C)(C1(CC1)[C@@](C)([C@@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)O)O

DOS

IR

Vibrations