Geometry & MOs

Info

ID:	120
PubChem CID:	2152
Reduced:	PN3C5O5H8 (2)
Stoich.:	AB3C5D5E8 (2)
Weight, g/mol:	442.040315
ΔH_f, kcal/mol:	-490.93
Dipole, Da:	15.15
IP(EA), eV:	-8.91(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphonamidic acid

Drug info:

PubChemData

Smile

C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(N)O)O)O)NC(=NC2=O)N

DOS

IR

Vibrations