Geometry & MOs

Info

ID:	626
PubChem CID:	3104
Reduced:	P3N5C11O12H18 (1)
Stoich.:	A3B5C11D12E18 (1)
Weight, g/mol:	505.016482
ΔH_f, kcal/mol:	-638.47
Dipole, Da:	3.18
IP(EA), eV:	-9.11(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N

DOS

IR

Vibrations