Geometry & MOs

Info

ID:	147323
PubChem CID:	53786979
Reduced:	ClN3O6C8H14 (1)
Stoich.:	AB3C6D8E14 (1)
Weight, g/mol:	450.259068
ΔH_f, kcal/mol:	-239.82
Dipole, Da:	4.21
IP(EA), eV:	-10.3(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-[[(2S)-2-amino-3-methylbutanoyl]oxymethyl]-4-(2-amino-6-oxo-3H-purin-9-yl)butyl] hexanoate

Drug info:

PubChemData

Smile

C1CC(C(C1O)(O)O)(NC(=O)N(CCCl)N=O)O

DOS

IR

Vibrations