Geometry & MOs

Info

ID:	2973
PubChem CID:	8977
Reduced:	P2N5C10O11H15 (1)
Stoich.:	A2B5C10D11E15 (1)
Weight, g/mol:	443.02433
ΔH_f, kcal/mol:	-535.21
Dipole, Da:	8.74
IP(EA), eV:	-9.41(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N

DOS

IR

Vibrations