Geometry & MOs

Info

ID:	307800
PubChem CID:	125309429
Reduced:	O3N5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	363.057999
ΔH_f, kcal/mol:	3.59
Dipole, Da:	9.23
IP(EA), eV:	-9.58(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R)-5-(2-amino-6-oxo-8H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1[C@@H](N2C(=NC1=O)N=C(N2)COC3=CC=CC=C3)NC(=O)CC4=CC=CC=C4

DOS

IR

Vibrations