Geometry & MOs

Info

ID:	46982
PubChem CID:	10528752
Reduced:	SSiN2O4C24H40 (1)
Stoich.:	ABC2D4E24F40 (1)
Weight, g/mol:	445.23283
ΔH_f, kcal/mol:	-231.98
Dipole, Da:	5.12
IP(EA), eV:	-9.0(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-(2-amino-6-oxo-3H-purin-9-yl)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-trimethylazanium

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1[C@H]2[C@H]3CCC[C@@H](C3=C(N2C1=O)C(=O)O)SC[C@@H]4CCNC4)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations