Geometry & MOs

Info

ID:	3795
PubChem CID:	10214
Reduced:	SP2N5C10O13H15 (1)
Stoich.:	AB2C5D10E13F15 (1)
Weight, g/mol:	506.986231
ΔH_f, kcal/mol:	-622.93
Dipole, Da:	8.97
IP(EA), eV:	-9.55(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N

DOS

IR

Vibrations