Geometry & MOs

Info

ID:	15647
PubChem CID:	446577
Reduced:	P3N5C10O12H16 (1)
Stoich.:	A3B5C10D12E16 (1)
Weight, g/mol:	491.000832
ΔH_f, kcal/mol:	-654.06
Dipole, Da:	9.63
IP(EA), eV:	-9.3(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C2NC(=NC3=O)N

DOS

IR

Vibrations