Geometry & MOs

Info

ID:	218776
PubChem CID:	85089954
Reduced:	ClN3O8C23H26 (1)
Stoich.:	AB3C8D23E26 (1)
Weight, g/mol:	507.962004
ΔH_f, kcal/mol:	-301.78
Dipole, Da:	8.45
IP(EA), eV:	-8.58(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[hydroxy-[[3-hydroxy-5-(6-oxo-5H-purin-7-yl)thiolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CC1(C2CC3CC(=O)C(C(=O)C3(C(=O)C2C(=O)C4=C1C(=C(C(=C4O)NC)Cl)N(C)C)O)C(=O)N)O

DOS

IR

Vibrations