Geometry & MOs

Info

ID:	84450
PubChem CID:	49866464
Reduced:	PN5O7C11H16 (1)
Stoich.:	AB5C7D11E16 (1)
Weight, g/mol:	331.06817
ΔH_f, kcal/mol:	-315.74
Dipole, Da:	2.23
IP(EA), eV:	-8.99(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R)-5-(2-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N

DOS

IR

Vibrations